[8-chloranyl-5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate

Systemtic Name: [8-chloranyl-5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] ethanoate Openeye Name: [8-chloro-5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate CAS Name: acetic acid [8-chloro-5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-(2-diethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate Traditional Name: acetic acid [8-chloro-5-(2-diethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)OC(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)OC(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H29ClN2O4S/c1-5-26(6-2)13-14-27-20-12-9-18(25)15-21(20)32-23(22(24(27)29)31-16(3)28)17-7-10-19(30-4)11-8-17/h7-12,15,22-23H,5-6,13-14H2,1-4H3