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

Systemtic Name: 5-[(3-aminocarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3-carbamoyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-5-oxopentanoate IUPAC Name: 5-[(3-carbamoyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-5-oxopentanoate Traditional Name: 5-[(3-carbamoyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-5-keto-valerate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c19-17(24)15-12-9-8-10-4-1-2-5-11(10)16(12)25-18(15)20-13(21)6-3-7-14(22)23/h1-2,4-5H,3,6-9H2,(H2,19,24)(H,20,21)(H,22,23)/p-1