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

Systemtic Name: [8-chloranyl-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] methanoate Openeye Name: [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] formate CAS Name: formic acid [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [8-chloro-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] formate Traditional Name: formic acid [8-chloro-5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S/c1-23(2)10-11-24-17-9-6-15(22)12-18(17)29-20(19(21(24)26)28-13-25)14-4-7-16(27-3)8-5-14/h4-9,12-13,19-20H,10-11H2,1-3H3