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

Systemtic Name: methyl 4-methyl-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: methyl 4-methyl-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylate CAS Name: 4-methyl-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Traditional Name: 4-methyl-2-(4-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c1-11-16(18(21)24-2)17(12-7-9-13(10-8-12)20(22)23)25-15-6-4-3-5-14(15)19-11/h3-10,17,19H,1-2H3