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

Systemtic Name: methyl 5-(2-dimethylaminoethyl)-4-methyl-2-(3-nitrophenyl)-2H-1,5-benzothiazepine-3-carboxylate Openeye Name: methyl 5-(2-dimethylaminoethyl)-4-methyl-2-(3-nitrophenyl)-2H-1,5-benzothiazepine-3-carboxylate CAS Name: 5-(2-dimethylaminoethyl)-4-methyl-2-(3-nitrophenyl)-2H-1,5-benzothiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-dimethylaminoethyl)-4-methyl-2-(3-nitrophenyl)-2H-1,5-benzothiazepine-3-carboxylate Traditional Name: 5-(2-dimethylaminoethyl)-4-methyl-2-(3-nitrophenyl)-2H-1,5-benzothiazepine-3-carboxylic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(SC2=CC=CC=C2N1CCN(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(SC2=CC=CC=C2N1CCN(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H25N3O4S/c1-15-20(22(26)29-4)21(16-8-7-9-17(14-16)25(27)28)30-19-11-6-5-10-18(19)24(15)13-12-23(2)3/h5-11,14,21H,12-13H2,1-4H3