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

Systemtic Name: N-(2-diethylaminoethyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-(2-diethylaminoethyl)-2-[3-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(2-diethylaminoethyl)-2-[3-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(2-diethylaminoethyl)-2-[3-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-(2-diethylaminoethyl)-2-[4-keto-3-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)CN1C2=CC=CC=C2SCC(C1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCNC(=O)CN1C2=CC=CC=C2SCC(C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31N3O3S/c1-4-26(5-2)15-14-25-23(28)16-27-21-8-6-7-9-22(21)31-17-20(24(27)29)18-10-12-19(30-3)13-11-18/h6-13,20H,4-5,14-17H2,1-3H3,(H,25,28)