(2S)-3-(3-azanyl-2-oxidanyl-phenyl)sulfanyl-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methyl-propanamide

Systemtic Name: (2S)-3-(3-azanyl-2-oxidanyl-phenyl)sulfanyl-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methyl-propanamide Openeye Name: (2S)-3-(3-amino-2-hydroxy-phenyl)sulfanyl-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methyl-propanamide CAS Name: (2S)-3-[(3-amino-2-hydroxyphenyl)thio]-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methylpropanamide IUPAC Name: (2S)-3-(3-amino-2-hydroxyphenyl)sulfanyl-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methylpropanamide Traditional Name: (2S)-3-[(3-amino-2-hydroxy-phenyl)thio]-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methyl-propionamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC(=C1O)N)C(=O)NC2COC3=CC=CC=C3SC2

Isomeric SMILES

C[C@H](CSC1=CC=CC(=C1O)N)C(=O)N[C@@H]2COC3=CC=CC=C3SC2

InChI

InChI=1S/C19H22N2O3S2/c1-12(10-25-17-8-4-5-14(20)18(17)22)19(23)21-13-9-24-15-6-2-3-7-16(15)26-11-13/h2-8,12-13,22H,9-11,20H2,1H3,(H,21,23)/t12-,13-/m1/s1