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

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 3-methoxy-4-nitro-benzoate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 3-methoxy-4-nitro-benzoate CAS Name: 3-methoxy-4-nitrobenzoic acid [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 3-methoxy-4-nitrobenzoate Traditional Name: 3-methoxy-4-nitro-benzoic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C28H29N3O7S MolecularWeight: 551.61076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29N3O7S/c1-29(2)15-16-30-22-7-5-6-8-24(22)39-26(18-9-12-20(36-3)13-10-18)25(27(30)32)38-28(33)19-11-14-21(31(34)35)23(17-19)37-4/h5-14,17,25-26H,15-16H2,1-4H3