(2R,3R)-7-azanyl-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: (2R,3R)-7-azanyl-2-(4-methoxyphenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: (2R,3R)-7-amino-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: (2R,3R)-7-amino-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: (2R,3R)-7-amino-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: (2R,3R)-7-amino-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC3=C(S2)C=CC(=C3)N)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](C(=O)NC3=C(S2)C=CC(=C3)N)O

InChI

InChI=1S/C16H16N2O3S/c1-21-11-5-2-9(3-6-11)15-14(19)16(20)18-12-8-10(17)4-7-13(12)22-15/h2-8,14-15,19H,17H2,1H3,(H,18,20)/t14-,15+/m0/s1