ethyl 4-[2-[[(4-methyl-2-sulfanyl-phenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: ethyl 4-[2-[[(4-methyl-2-sulfanyl-phenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 4-[2-[[(4-methyl-2-sulfanyl-phenyl)-[2-(1-piperidyl)phenyl]methyl]amino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-[[(2-mercapto-4-methylphenyl)-[2-(1-piperidinyl)phenyl]methyl]amino]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(4-methyl-2-sulfanylphenyl)-(2-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzoate Traditional Name: 4-[2-keto-2-[[(2-mercapto-4-methyl-phenyl)-(2-piperidinophenyl)methyl]amino]ethyl]benzoic acid ethyl ester Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC(=O)NC(C2=C(C=C(C=C2)C)S)C3=CC=CC=C3N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC(=O)NC(C2=C(C=C(C=C2)C)S)C3=CC=CC=C3N4CCCCC4

InChI

InChI=1S/C30H34N2O3S/c1-3-35-30(34)23-14-12-22(13-15-23)20-28(33)31-29(25-16-11-21(2)19-27(25)36)24-9-5-6-10-26(24)32-17-7-4-8-18-32/h5-6,9-16,19,29,36H,3-4,7-8,17-18,20H2,1-2H3,(H,31,33)