4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-methyl-4-oxo-but-2-enoic acid CAS Name: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxo-2-butenoic acid IUPAC Name: 4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-methyl-4-oxobut-2-enoic acid Traditional Name: 4-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-3-methyl-but-2-enoic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC(=O)O)C

InChI

InChI=1S/C16H19NO5S/c1-3-22-16(21)13-10-6-4-5-7-11(10)23-15(13)17-14(20)9(2)8-12(18)19/h8H,3-7H2,1-2H3,(H,17,20)(H,18,19)