[(2S)-butan-2-yl]oxycarbonyloxymethyl 3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: [(2S)-butan-2-yl]oxycarbonyloxymethyl 3-[(4-methylcyclohexyl)carbonyl-(1-methylpiperidin-4-yl)amino]-5-phenyl-thiophene-2-carboxylate Openeye Name: [(1S)-1-methylpropoxy]carbonyloxymethyl 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-(1-methyl-4-piperidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid [[(2S)-butan-2-yl]oxy-oxomethoxy]methyl ester IUPAC Name: [(2S)-butan-2-yl]oxycarbonyloxymethyl 3-[(4-methylcyclohexanecarbonyl)-(1-methylpiperidin-4-yl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(4-methylcyclohexanecarbonyl)-(1-methyl-4-piperidyl)amino]-5-phenyl-thiophene-2-carboxylic acid [(1S)-1-methylpropoxy]carbonyloxymethyl ester Formula: C31H42N2O6S MolecularWeight: 570.73998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)OCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(C3CCN(CC3)C)C(=O)C4CCC(CC4)C

Isomeric SMILES

CC[C@H](C)OC(=O)OCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(C3CCN(CC3)C)C(=O)C4CCC(CC4)C

InChI

InChI=1S/C31H42N2O6S/c1-5-22(3)39-31(36)38-20-37-30(35)28-26(19-27(40-28)23-9-7-6-8-10-23)33(25-15-17-32(4)18-16-25)29(34)24-13-11-21(2)12-14-24/h6-10,19,21-22,24-25H,5,11-18,20H2,1-4H3/t21?,22-,24?/m0/s1