O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]] N-methylcarbamothioate

Systemtic Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl]] N-methylcarbamothioate Openeye Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]] N-methylcarbamothioate CAS Name: N-methylcarbamothioic acid O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]] ester IUPAC Name: O-[[5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]] N-methylcarbamothioate Traditional Name: N-methylthiocarbamic acid O-[[5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]] ester Formula: C22H27N3O3S2 MolecularWeight: 445.59808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CNC(=S)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3S2/c1-23-22(29)28-19-20(15-9-11-16(27-4)12-10-15)30-18-8-6-5-7-17(18)25(21(19)26)14-13-24(2)3/h5-12,19-20H,13-14H2,1-4H3,(H,23,29)