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

Systemtic Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-3-yl] N-cyclohexylcarbamate Openeye Name: [5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] N-cyclohexylcarbamate CAS Name: N-cyclohexylcarbamic 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] N-cyclohexylcarbamate Traditional Name: N-cyclohexylcarbamic acid [5-(2-dimethylaminoethyl)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl] ester Formula: C27H35N3O4S MolecularWeight: 497.6495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)NC3CCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)OC(=O)NC3CCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H35N3O4S/c1-29(2)17-18-30-22-11-7-8-12-23(22)35-25(19-13-15-21(33-3)16-14-19)24(26(30)31)34-27(32)28-20-9-5-4-6-10-20/h7-8,11-16,20,24-25H,4-6,9-10,17-18H2,1-3H3,(H,28,32)