(6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-6-oxidanyl-1,4-thiazepan-5-one

Systemtic Name: (6S,7S)-4-(2-dimethylaminoethyl)-7-(4-methoxyphenyl)-6-oxidanyl-1,4-thiazepan-5-one Openeye Name: (6S,7S)-4-(2-dimethylaminoethyl)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one CAS Name: (6S,7S)-4-(2-dimethylaminoethyl)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one IUPAC Name: (6S,7S)-4-(2-dimethylaminoethyl)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one Traditional Name: (6S,7S)-4-(2-dimethylaminoethyl)-6-hydroxy-7-(4-methoxyphenyl)-1,4-thiazepan-5-one Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCSC(C(C1=O)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(C)CCN1CCS[C@H]([C@H](C1=O)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H24N2O3S/c1-17(2)8-9-18-10-11-22-15(14(19)16(18)20)12-4-6-13(21-3)7-5-12/h4-7,14-15,19H,8-11H2,1-3H3/t14-,15+/m1/s1