[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-thiophen-2-ylethanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-thiophen-2-ylethanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 2-(2-thienyl)acetate CAS Name: 2-thiophen-2-ylacetic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate Traditional Name: 2-(2-thienyl)acetic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CC3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)CC3=CC=CS3)Cl

InChI

InChI=1S/C21H18ClNO3S/c1-14-9-10-16(12-18(14)22)23-21(25)20(15-6-3-2-4-7-15)26-19(24)13-17-8-5-11-27-17/h2-12,20H,13H2,1H3,(H,23,25)