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

Systemtic Name: [2-(4-butoxyphenyl)-5-(2-dimethylaminoethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate Openeye Name: [2-(4-butoxyphenyl)-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(4-butoxyphenyl)-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [2-(4-butoxyphenyl)-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-butoxyphenyl)-5-(2-dimethylaminoethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN(C)C)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN(C)C)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C29H33N3O4S/c1-4-5-19-35-23-14-12-21(13-15-23)27-26(36-29(34)22-9-8-16-30-20-22)28(33)32(18-17-31(2)3)24-10-6-7-11-25(24)37-27/h6-16,20,26-27H,4-5,17-19H2,1-3H3