methyl 2-methyl-4-(2-nitrophenyl)pyrido[2,3-b][1,5]benzothiazepine-3-carboxylate

Systemtic Name: methyl 2-methyl-4-(2-nitrophenyl)pyrido[2,3-b][1,5]benzothiazepine-3-carboxylate Openeye Name: methyl 2-methyl-4-(2-nitrophenyl)pyrido[2,3-b][1,5]benzothiazepine-3-carboxylate CAS Name: 2-methyl-4-(2-nitrophenyl)-3-pyrido[2,3-b][1,5]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-(2-nitrophenyl)pyrido[2,3-b][1,5]benzothiazepine-3-carboxylate Traditional Name: 2-methyl-4-(2-nitrophenyl)pyrido[2,3-b][1,5]benzothiazepine-3-carboxylic acid methyl ester Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=NC3=CC=CC=C3SC2=N1)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=C2C=NC3=CC=CC=C3SC2=N1)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H15N3O4S/c1-12-18(21(25)28-2)19(13-7-3-5-9-16(13)24(26)27)14-11-22-15-8-4-6-10-17(15)29-20(14)23-12/h3-11H,1-2H3