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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5S/c1-2-9-22-16(21)14-10-5-3-4-6-11(10)23-15(14)17-12(18)7-8-13(19)20/h7-8H,2-6,9H2,1H3,(H,17,18)(H,19,20)