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

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-methylbenzoate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] ester IUPAC Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C28H30N2O4S MolecularWeight: 490.6138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2C(SC3=CC=CC=C3N(C2=O)CCN(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2C(SC3=CC=CC=C3N(C2=O)CCN(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H30N2O4S/c1-19-9-5-6-10-22(19)28(32)34-25-26(20-13-15-21(33-4)16-14-20)35-24-12-8-7-11-23(24)30(27(25)31)18-17-29(2)3/h5-16,25-26H,17-18H2,1-4H3