tert-butyl 7-phenylazanyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-phenylazanyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 7-anilino-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate CAS Name: 7-anilino-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-anilino-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Traditional Name: 7-anilino-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2S/c1-20(2,3)24-19(23)22-11-12-25-18-10-9-17(13-15(18)14-22)21-16-7-5-4-6-8-16/h4-10,13,21H,11-12,14H2,1-3H3