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

Systemtic Name: [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanylbenzoate Openeye Name: [2-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-oxo-ethyl] 3-aminobenzoate CAS Name: 3-aminobenzoic acid [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] 3-aminobenzoate Traditional Name: 3-aminobenzoic acid [2-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H17N3O3S MolecularWeight: 403.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)COC(=O)C4=CC(=CC=C4)N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)COC(=O)C4=CC(=CC=C4)N

InChI

InChI=1S/C22H17N3O3S/c23-11-18-17-9-8-13-4-1-2-7-16(13)20(17)29-21(18)25-19(26)12-28-22(27)14-5-3-6-15(24)10-14/h1-7,10H,8-9,12,24H2,(H,25,26)