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

Systemtic Name: ethyl 4-methyl-2-(3-nitrophenyl)-2,5-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2SC1C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2SC1C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O4S/c1-3-25-19(22)17-12(2)20-15-9-4-5-10-16(15)26-18(17)13-7-6-8-14(11-13)21(23)24/h4-11,18,20H,3H2,1-2H3