[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C26H22ClNO4S MolecularWeight: 479.97518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H22ClNO4S/c1-31-20-12-13-21-22(14-20)33-25(24(21)27)26(30)32-17-23(29)28(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3