ethyl 2,4-dimethyl-5-[4-[1-[(4-methylsulfanylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-[1-[(4-methylsulfanylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-[1-methyl-2-[(4-methylsulfanylphenyl)methylamino]-2-oxo-ethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-[1-[[4-(methylthio)phenyl]methylamino]-1-oxopropan-2-yl]-1-piperidinyl]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-[1-[(4-methylsulfanylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-keto-1-methyl-2-[[4-(methylthio)benzyl]amino]ethyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)C(C)C(=O)NCC3=CC=C(C=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(CC2)C(C)C(=O)NCC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C26H35N3O4S/c1-6-33-26(32)22-17(3)23(28-18(22)4)25(31)29-13-11-20(12-14-29)16(2)24(30)27-15-19-7-9-21(34-5)10-8-19/h7-10,16,20,28H,6,11-15H2,1-5H3,(H,27,30)