(2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3-oxidanyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-3-hydroxy-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-hydroxy-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-hydroxy-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-3-hydroxy-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCO)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)N(C3=CC=CC=C3S2)CCO)O

InChI

InChI=1S/C18H19NO4S/c1-23-13-8-6-12(7-9-13)17-16(21)18(22)19(10-11-20)14-4-2-3-5-15(14)24-17/h2-9,16-17,20-21H,10-11H2,1H3/t16-,17+/m1/s1