4-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyrate Formula: C14H16NO5S- MolecularWeight: 310.34554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H17NO5S/c1-20-14(19)12-8-4-2-3-5-9(8)21-13(12)15-10(16)6-7-11(17)18/h2-7H2,1H3,(H,15,16)(H,17,18)/p-1