tert-butyl 7-[(phenylmethyl)amino]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-[(phenylmethyl)amino]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 7-(benzylamino)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate CAS Name: 7-[(phenylmethyl)amino]-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(benzylamino)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Traditional Name: 7-(benzylamino)-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-21(2,3)25-20(24)23-11-12-26-19-10-9-18(13-17(19)15-23)22-14-16-7-5-4-6-8-16/h4-10,13,22H,11-12,14-15H2,1-3H3