[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C28H22N2O4S2 MolecularWeight: 514.61528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H22N2O4S2/c1-17-12-13-21(33-2)20(16-17)29-26(31)25(18-8-4-3-5-9-18)34-28(32)24-15-14-23(35-24)27-30-19-10-6-7-11-22(19)36-27/h3-16,25H,1-2H3,(H,29,31)