7-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-p-phenetylethyl)piperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C25H30N2O3S/c1-2-30-21-8-5-18(6-9-21)3-4-19-11-14-27(15-12-19)25(29)20-7-10-23-22(17-20)26-24(28)13-16-31-23/h5-10,17,19H,2-4,11-16H2,1H3,(H,26,28)