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

Systemtic Name: [5-(2-diethylaminoethyl)-4-oxidanylidene-2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate Openeye Name: [5-(2-diethylaminoethyl)-2-(4-isopropoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [5-(2-diethylaminoethyl)-4-oxo-2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-diethylaminoethyl)-4-oxo-2-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [5-(2-diethylaminoethyl)-2-(4-isopropoxyphenyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C30H35N3O4S MolecularWeight: 533.6816

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O4S/c1-5-32(6-2)18-19-33-25-11-7-8-12-26(25)38-28(22-13-15-24(16-14-22)36-21(3)4)27(29(33)34)37-30(35)23-10-9-17-31-20-23/h7-17,20-21,27-28H,5-6,18-19H2,1-4H3