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

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] N-methylcarbamate Openeye Name: [5-(2-dimethylaminoethyl)-4-oxo-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] N-methylcarbamate CAS Name: N-methylcarbamic acid [5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methylphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [5-(2-dimethylaminoethyl)-4-keto-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN(C)C)OC(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCN(C)C)OC(=O)NC

InChI

InChI=1S/C22H27N3O3S/c1-15-9-11-16(12-10-15)20-19(28-22(27)23-2)21(26)25(14-13-24(3)4)17-7-5-6-8-18(17)29-20/h5-12,19-20H,13-14H2,1-4H3,(H,23,27)