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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO7S/c1-5-27-16(23)9-10-17(24)29-13(4)19(25)22-20-18(21(26)28-6-2)14-8-7-12(3)11-15(14)30-20/h9-10,12-13H,5-8,11H2,1-4H3,(H,22,25)