3-(4-methoxyphenyl)-5-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 3-(4-methoxyphenyl)-5-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 3-(4-methoxyphenyl)-5-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 3-(4-methoxyphenyl)-5-[2-(1-pyrrolidinyl)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 3-(4-methoxyphenyl)-5-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 3-(4-methoxyphenyl)-5-(2-pyrrolidinoethyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CSC3=CC=CC=C3N(C2=O)CCN4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2CSC3=CC=CC=C3N(C2=O)CCN4CCCC4

InChI

InChI=1S/C22H26N2O2S/c1-26-18-10-8-17(9-11-18)19-16-27-21-7-3-2-6-20(21)24(22(19)25)15-14-23-12-4-5-13-23/h2-3,6-11,19H,4-5,12-16H2,1H3