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

Systemtic Name: (2S)-3-(2-azanyl-3-methoxy-phenyl)sulfanyl-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methyl-propanamide Openeye Name: (2S)-3-(2-amino-3-methoxy-phenyl)sulfanyl-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methyl-propanamide CAS Name: (2S)-3-[(2-amino-3-methoxyphenyl)thio]-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methylpropanamide IUPAC Name: (2S)-3-(2-amino-3-methoxyphenyl)sulfanyl-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methylpropanamide Traditional Name: (2S)-3-[(2-amino-3-methoxy-phenyl)thio]-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-methyl-propionamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC(=C1N)OC)C(=O)NC2COC3=CC=CC=C3SC2

Isomeric SMILES

C[C@H](CSC1=CC=CC(=C1N)OC)C(=O)N[C@@H]2COC3=CC=CC=C3SC2

InChI

InChI=1S/C20H24N2O3S2/c1-13(11-26-18-9-5-7-16(24-2)19(18)21)20(23)22-14-10-25-15-6-3-4-8-17(15)27-12-14/h3-9,13-14H,10-12,21H2,1-2H3,(H,22,23)/t13-,14-/m1/s1