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

Systemtic Name: (4-ethoxy-5-methoxy-2-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Openeye Name: (4-ethoxy-5-methoxy-2-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone CAS Name: (4-ethoxy-5-methoxy-2-nitrophenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone IUPAC Name: (4-ethoxy-5-methoxy-2-nitrophenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Traditional Name: (4-ethoxy-5-methoxy-2-nitro-phenyl)-[(2S)-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)[N+](=O)[O-])C(=O)N2CCC(SC3=CC=CC=C32)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CC[C@@H](SC3=CC=CC=C32)C)OC

InChI

InChI=1S/C20H22N2O5S/c1-4-27-18-12-16(22(24)25)14(11-17(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/t13-/m0/s1