tert-butyl 2-[3-[(4-methoxycarbonylcyclohexyl)carbamoyl]phenyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carboxylate

Systemtic Name: tert-butyl 2-[3-[(4-methoxycarbonylcyclohexyl)carbamoyl]phenyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carboxylate Openeye Name: tert-butyl 2-[3-[(4-methoxycarbonylcyclohexyl)carbamoyl]phenyl]-4,5,7,8-tetrahydrothiazolo[4,5-d]azepine-6-carboxylate CAS Name: 2-[3-[[(4-methoxycarbonylcyclohexyl)amino]-oxomethyl]phenyl]-4,5,7,8-tetrahydrothiazolo[4,5-d]azepine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-methoxycarbonylcyclohexyl)carbamoyl]phenyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carboxylate Traditional Name: 2-[3-[(4-carbomethoxycyclohexyl)carbamoyl]phenyl]-4,5,7,8-tetrahydrothiazol[4,5-d]azepine-6-carboxylic acid tert-butyl ester Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)SC(=N2)C3=CC(=CC=C3)C(=O)NC4CCC(CC4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)SC(=N2)C3=CC(=CC=C3)C(=O)NC4CCC(CC4)C(=O)OC

InChI

InChI=1S/C27H35N3O5S/c1-27(2,3)35-26(33)30-14-12-21-22(13-15-30)36-24(29-21)19-7-5-6-18(16-19)23(31)28-20-10-8-17(9-11-20)25(32)34-4/h5-7,16-17,20H,8-15H2,1-4H3,(H,28,31)