[2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-(4-methoxyphenyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester IUPAC Name: [2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-keto-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] ester Formula: C23H17ClN2O6S MolecularWeight: 484.90888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)OC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN2O6S/c1-31-15-9-6-13(7-10-15)21-20(22(27)25-17-4-2-3-5-19(17)33-21)32-23(28)14-8-11-16(24)18(12-14)26(29)30/h2-12,20-21H,1H3,(H,25,27)