O1-ethyl O4-[2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] but-2-enedioate Openeye Name: O1-ethyl O4-[2-[(3-isopropoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] but-2-enedioate CAS Name: 2-butenedioic acid O1-ethyl ester O4-[2-[[6-methyl-3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] but-2-enedioate Traditional Name: but-2-enedioic acid O1-ethyl ester O4-[2-[(3-isopropoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C21H27NO7S MolecularWeight: 437.50658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C=CC(=O)OCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OC(C)C

InChI

InChI=1S/C21H27NO7S/c1-5-27-17(24)8-9-18(25)28-11-16(23)22-20-19(21(26)29-12(2)3)14-7-6-13(4)10-15(14)30-20/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,23)