(2-azanyl-2-oxidanylidene-ethyl) (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate Openeye Name: (2-amino-2-oxo-ethyl) (E)-3-(3-indolin-1-ylsulfonyl-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]-2-propenoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-(3-indolin-1-ylsulfonyl-4,5-dimethoxy-phenyl)acrylic acid (2-amino-2-keto-ethyl) ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)N)S(=O)(=O)N2CCC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)N)S(=O)(=O)N2CCC3=CC=CC=C32)OC

InChI

InChI=1S/C21H22N2O7S/c1-28-17-11-14(7-8-20(25)30-13-19(22)24)12-18(21(17)29-2)31(26,27)23-10-9-15-5-3-4-6-16(15)23/h3-8,11-12H,9-10,13H2,1-2H3,(H2,22,24)/b8-7+