[2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-keto-2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]ethyl] ester Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H18ClNO4S/c1-26-16-9-7-15(8-10-16)20(14-5-3-2-4-6-14)23-19(24)13-27-21(25)17-11-12-18(22)28-17/h2-12,20H,13H2,1H3,(H,23,24)/t20-/m0/s1