[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C28H23ClN2O4S MolecularWeight: 519.01122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C28H23ClN2O4S/c29-22-13-14-23(24(16-22)30-27(33)25-12-7-15-36-25)28(34)35-19-26(32)31(17-20-8-3-1-4-9-20)18-21-10-5-2-6-11-21/h1-16H,17-19H2,(H,30,33)