(4-ethoxy-3-nitro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (4-ethoxy-3-nitrophenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCC(SC3=CC=CC=C32)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCC(SC3=CC=CC=C32)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O4S/c1-3-25-17-9-8-14(12-16(17)21(23)24)19(22)20-11-10-13(2)26-18-7-5-4-6-15(18)20/h4-9,12-13H,3,10-11H2,1-2H3