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

Systemtic Name: 5-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e][1]benzothiol-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e]benzothiophen-2-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e][1]benzothiol-2-yl)amino]-5-oxopentanoate IUPAC Name: 5-[(7-methoxy-1-methoxycarbonyl-4,5-dihydrobenzo[e][1]benzothiol-2-yl)amino]-5-oxopentanoate Traditional Name: 5-[(1-carbomethoxy-7-methoxy-4,5-dihydrobenzo[e]benzothiophen-2-yl)amino]-5-keto-valerate Formula: C20H20NO6S- MolecularWeight: 402.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-26-12-7-8-13-11(10-12)6-9-14-17(13)18(20(25)27-2)19(28-14)21-15(22)4-3-5-16(23)24/h7-8,10H,3-6,9H2,1-2H3,(H,21,22)(H,23,24)/p-1