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

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-4-27-18-11-14(16(22(24)25)12-17(18)26-3)20(23)21-10-9-13(2)28-19-8-6-5-7-15(19)21/h5-8,11-13H,4,9-10H2,1-3H3