[2-(4-chlorophenyl)-5-(2-dimethylaminoethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] N-methylcarbamate

Systemtic Name: [2-(4-chlorophenyl)-5-(2-dimethylaminoethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] N-methylcarbamate Openeye Name: [2-(4-chlorophenyl)-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] N-methylcarbamate CAS Name: N-methylcarbamic acid [2-(4-chlorophenyl)-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [2-(4-chlorophenyl)-5-(2-dimethylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [2-(4-chlorophenyl)-5-(2-dimethylaminoethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3S/c1-23-21(27)28-18-19(14-8-10-15(22)11-9-14)29-17-7-5-4-6-16(17)25(20(18)26)13-12-24(2)3/h4-11,18-19H,12-13H2,1-3H3,(H,23,27)