O4-[1-[(3-ethoxycarbonyl-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-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-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-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-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-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C=CC(=O)OC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C20H25NO7S/c1-4-26-15(22)10-11-16(23)28-12(3)18(24)21-19-17(20(25)27-5-2)13-8-6-7-9-14(13)29-19/h10-12H,4-9H2,1-3H3,(H,21,24)