[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] quinoline-2-carboxylate

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] quinoline-2-carboxylate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic 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] quinoline-2-carboxylate Traditional Name: quinaldic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C30H29N3O4S MolecularWeight: 527.63396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H29N3O4S/c1-32(2)18-19-33-25-10-6-7-11-26(25)38-28(21-12-15-22(36-3)16-13-21)27(29(33)34)37-30(35)24-17-14-20-8-4-5-9-23(20)31-24/h4-17,27-28H,18-19H2,1-3H3