4-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e][1]benzothiol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e][1]benzothiol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e]benzothiophen-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e][1]benzothiol-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e][1]benzothiol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(1-carbomethoxy-7-methoxy-4,5-dihydrobenzo[e]benzothiophen-2-yl)amino]-4-keto-butyrate Formula: C19H18NO6S- MolecularWeight: 388.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H19NO6S/c1-25-11-4-5-12-10(9-11)3-6-13-16(12)17(19(24)26-2)18(27-13)20-14(21)7-8-15(22)23/h4-5,9H,3,6-8H2,1-2H3,(H,20,21)(H,22,23)/p-1