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

Systemtic Name: (2S,3S)-3-ethanoyl-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S,3S)-3-acetyl-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S,3S)-3-acetyl-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S,3S)-3-acetyl-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S,3S)-3-acetyl-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(SC2=CC=CC=C2N(C1=O)CCO)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)[C@@H]1[C@H](SC2=CC=CC=C2N(C1=O)CCO)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21NO4S/c1-13(23)18-19(14-7-9-15(25-2)10-8-14)26-17-6-4-3-5-16(17)21(11-12-22)20(18)24/h3-10,18-19,22H,11-12H2,1-2H3/t18-,19-/m1/s1