N-(2-methoxy-5-methyl-phenyl)-2-(3-methyl-4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-(3-methyl-4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-(3-methyl-4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[3-methyl-4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(3-methyl-4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: 2-(4-keto-3-methyl-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N(C1=O)CC(=O)NC4=C(C=CC(=C4)C)OC

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N(C1=O)CC(=O)NC4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C24H29N3O5S2/c1-16-6-8-21(32-3)19(12-16)25-23(28)14-27-20-13-18(34(30,31)26-10-4-5-11-26)7-9-22(20)33-15-17(2)24(27)29/h6-9,12-13,17H,4-5,10-11,14-15H2,1-3H3,(H,25,28)