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

Systemtic Name: (2S)-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-3-(2-methoxyphenyl)sulfanyl-2-methyl-propanamide Openeye Name: (2S)-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-3-(2-methoxyphenyl)sulfanyl-2-methyl-propanamide CAS Name: (2S)-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-3-[(2-methoxyphenyl)thio]-2-methylpropanamide IUPAC Name: (2S)-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-3-(2-methoxyphenyl)sulfanyl-2-methylpropanamide Traditional Name: (2S)-N-[(3R)-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-3-[(2-methoxyphenyl)thio]-2-methyl-propionamide Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1OC)C(=O)NC2COC3=CC=CC=C3SC2

Isomeric SMILES

C[C@H](CSC1=CC=CC=C1OC)C(=O)N[C@@H]2COC3=CC=CC=C3SC2

InChI

InChI=1S/C20H23NO3S2/c1-14(12-25-18-9-5-3-7-16(18)23-2)20(22)21-15-11-24-17-8-4-6-10-19(17)26-13-15/h3-10,14-15H,11-13H2,1-2H3,(H,21,22)/t14-,15-/m1/s1