[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O3S2/c1-13-7-3-4-8-15(13)23-20(25)14(2)27-22(26)19-12-11-18(28-19)21-24-16-9-5-6-10-17(16)29-21/h3-12,14H,1-2H3,(H,23,25)