[2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]methyl 2-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyrrolidine-1-carboxylate

Systemtic Name: [2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylcarbonyl)phenyl]methyl 2-[(4-methyl-1,4-diazepan-1-yl)carbonyl]pyrrolidine-1-carboxylate Openeye Name: [2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]methyl 2-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]-1-pyrrolidinecarboxylic acid [2-methyl-4-[oxo(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methyl]phenyl]methyl ester IUPAC Name: [2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]methyl 2-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylic acid [2-methyl-4-(5,6,7,8-tetrahydrothien[3,2-b]azepine-4-carbonyl)benzyl] ester Formula: C29H38N4O4S MolecularWeight: 538.70142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)COC(=O)N4CCCC4C(=O)N5CCCN(CC5)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCCC3=C2C=CS3)COC(=O)N4CCCC4C(=O)N5CCCN(CC5)C

InChI

InChI=1S/C29H38N4O4S/c1-21-19-22(27(34)32-14-4-3-8-26-24(32)11-18-38-26)9-10-23(21)20-37-29(36)33-15-5-7-25(33)28(35)31-13-6-12-30(2)16-17-31/h9-11,18-19,25H,3-8,12-17,20H2,1-2H3