tert-butyl 2-[(Z,3S)-3-(dimethoxymethyl)-3-(2-ethoxy-2-oxidanylidene-ethyl)-6-oxidanyl-hex-1-enyl]-6,7-dimethoxy-3-[2-[(2-nitrophenyl)sulfonylamino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-[(Z,3S)-3-(dimethoxymethyl)-3-(2-ethoxy-2-oxidanylidene-ethyl)-6-oxidanyl-hex-1-enyl]-6,7-dimethoxy-3-[2-[(2-nitrophenyl)sulfonylamino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 2-[(Z,3S)-3-(dimethoxymethyl)-3-(2-ethoxy-2-oxo-ethyl)-6-hydroxy-hex-1-enyl]-6,7-dimethoxy-3-[2-[(2-nitrophenyl)sulfonylamino]ethyl]indole-1-carboxylate CAS Name: 2-[(Z,3S)-3-(dimethoxymethyl)-3-(2-ethoxy-2-oxoethyl)-6-hydroxyhex-1-enyl]-6,7-dimethoxy-3-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(Z,3S)-3-(dimethoxymethyl)-3-(2-ethoxy-2-oxoethyl)-6-hydroxyhex-1-enyl]-6,7-dimethoxy-3-[2-[(2-nitrophenyl)sulfonylamino]ethyl]indole-1-carboxylate Traditional Name: 2-[(Z,3S)-3-(dimethoxymethyl)-3-(2-ethoxy-2-keto-ethyl)-6-hydroxy-hex-1-enyl]-6,7-dimethoxy-3-[2-[(2-nitrophenyl)sulfonylamino]ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C36H49N3O13S MolecularWeight: 763.85156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCCO)(C=CC1=C(C2=C(N1C(=O)OC(C)(C)C)C(=C(C=C2)OC)OC)CCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(OC)OC

Isomeric SMILES

CCOC(=O)C[C@@](CCCO)(/C=C\C1=C(C2=C(N1C(=O)OC(C)(C)C)C(=C(C=C2)OC)OC)CCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(OC)OC

InChI

InChI=1S/C36H49N3O13S/c1-9-51-30(41)23-36(19-12-22-40,33(49-7)50-8)20-17-26-24(18-21-37-53(45,46)29-14-11-10-13-27(29)39(43)44)25-15-16-28(47-5)32(48-6)31(25)38(26)34(42)52-35(2,3)4/h10-11,13-17,20,33,37,40H,9,12,18-19,21-23H2,1-8H3/b20-17-/t36-/m1/s1