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

Systemtic Name: [5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate Openeye Name: [5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [5-(2-diethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C3=CN=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C3=CN=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H31N3O4S/c1-4-30(5-2)17-18-31-23-10-6-7-11-24(23)36-26(20-12-14-22(34-3)15-13-20)25(27(31)32)35-28(33)21-9-8-16-29-19-21/h6-16,19,25-26H,4-5,17-18H2,1-3H3