7-[2-(4-methoxyphenyl)pyrrolidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[2-(4-methoxyphenyl)pyrrolidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[2-(4-methoxyphenyl)-1-pyrrolidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H22N2O3S/c1-26-16-7-4-14(5-8-16)18-3-2-11-23(18)21(25)15-6-9-19-17(13-15)22-20(24)10-12-27-19/h4-9,13,18H,2-3,10-12H2,1H3,(H,22,24)