[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H19N3O3S2/c1-15-13-29-22(24-15)30-14-17-7-2-4-8-18(17)21(27)28-11-10-20(26)25-19-9-5-3-6-16(19)12-23/h2-9,13H,10-11,14H2,1H3,(H,25,26)