[1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylbenzoate

Systemtic Name: [1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-azanylbenzoate Openeye Name: [2-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxopropan-2-yl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C#N)OC(=O)C4=CC(=CC=C4)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C#N)OC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C23H19N3O3S/c1-13(29-23(28)15-6-4-7-16(25)11-15)21(27)26-22-19(12-24)18-10-9-14-5-2-3-8-17(14)20(18)30-22/h2-8,11,13H,9-10,25H2,1H3,(H,26,27)