[8-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-nitrobenzoate

Systemtic Name: [8-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-nitrobenzoate Openeye Name: [8-chloro-5-(2-dimethylaminoethyl)-4-oxo-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [8-chloro-5-(2-dimethylaminoethyl)-4-keto-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C27H26ClN3O5S MolecularWeight: 540.03044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CCN(C)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)N(C3=C(S2)C=C(C=C3)Cl)CCN(C)C)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26ClN3O5S/c1-17-4-6-18(7-5-17)25-24(36-27(33)19-8-11-21(12-9-19)31(34)35)26(32)30(15-14-29(2)3)22-13-10-20(28)16-23(22)37-25/h4-13,16,24-25H,14-15H2,1-3H3