4-[(3-aminocarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-aminocarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-carbamoyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-4-keto-butyrate Formula: C17H15N2O4S- MolecularWeight: 343.377

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2C(=O)N)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2C(=O)N)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H16N2O4S/c18-16(23)14-11-6-5-9-3-1-2-4-10(9)15(11)24-17(14)19-12(20)7-8-13(21)22/h1-4H,5-8H2,(H2,18,23)(H,19,20)(H,21,22)/p-1