[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H16ClN3O3S/c1-12(20(26)23-14-7-6-13(11-22)15(21)10-14)27-19(25)9-8-18-24-16-4-2-3-5-17(16)28-18/h2-7,10,12H,8-9H2,1H3,(H,23,26)