[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(3-methyl-4-nitro-phenyl)methanone Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-12-11-13(8-9-15(12)22(24)25)19(23)21-10-4-6-16(21)18-20-14-5-2-3-7-17(14)26-18/h2-3,5,7-9,11,16H,4,6,10H2,1H3