(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-hydroxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-5-(2-dimethylaminoethyl)-2-(4-hydroxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-5-(2-dimethylaminoethyl)-3-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC(C(C1=O)O)C3=CC=C(C=C3)O

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H22N2O3S/c1-20(2)11-12-21-15-5-3-4-6-16(15)25-18(17(23)19(21)24)13-7-9-14(22)10-8-13/h3-10,17-18,22-23H,11-12H2,1-2H3/t17-,18+/m1/s1