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

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] thiophene-2-carboxylate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic 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] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N2O4S2/c1-26(2)14-15-27-19-7-4-5-8-20(19)33-23(17-10-12-18(30-3)13-11-17)22(24(27)28)31-25(29)21-9-6-16-32-21/h4-13,16,22-23H,14-15H2,1-3H3