methyl 4-[[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)phenyl]carbonylamino]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: methyl 4-[[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)phenyl]carbonylamino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[4-(5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl)benzoyl]amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[oxo-[4-(5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl)phenyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)benzoyl]amino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[4-(5,6,7,8-tetrahydro-4H-thiazol[4,5-d]azepin-2-yl)benzoyl]amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)C3=NC4=C(S3)CCNCC4.Cl

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)C3=NC4=C(S3)CCNCC4.Cl

InChI

InChI=1S/C22H27N3O3S.ClH/c1-28-22(27)16-6-8-17(9-7-16)24-20(26)14-2-4-15(5-3-14)21-25-18-10-12-23-13-11-19(18)29-21;/h2-5,16-17,23H,6-13H2,1H3,(H,24,26);1H