methyl 3-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl]thio]propionic acid methyl ester Formula: C20H21NO3S2 MolecularWeight: 387.51564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)N1C(CSC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCSCC(=O)N1[C@H](CSC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S2/c1-24-20(23)11-12-25-14-19(22)21-16-9-5-6-10-18(16)26-13-17(21)15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3/t17-/m1/s1