5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C24H27N3O4S2/c28-23-11-15-32-22-10-9-19(33(30,31)25-12-3-4-13-25)16-21(22)27(23)17-24(29)26-14-5-7-18-6-1-2-8-20(18)26/h1-2,6,8-10,16H,3-5,7,11-15,17H2