propan-2-yl 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylate

Systemtic Name: propan-2-yl 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: isopropyl 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylate CAS Name: 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Traditional Name: 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid isopropyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(SC2=CC=CC=C2N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(SC2=CC=CC=C2N1)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C20H20N2O4S/c1-12(2)26-20(23)18-13(3)21-16-9-4-5-10-17(16)27-19(18)14-7-6-8-15(11-14)22(24)25/h4-12,19,21H,1-3H3