methyl (2R)-2-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-3-hydroxy-2-[[2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]acetyl]amino]propanoate CAS Name: (2R)-3-hydroxy-2-[[2-[4-(4-methylphenyl)-2-sulfanylidene-3-thiazolyl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-hydroxy-2-[[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]amino]propanoate Traditional Name: (2R)-3-hydroxy-2-[[2-[4-(p-tolyl)-2-thioxo-4-thiazolin-3-yl]acetyl]amino]propionic acid methyl ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)N[C@H](CO)C(=O)OC

InChI

InChI=1S/C16H18N2O4S2/c1-10-3-5-11(6-4-10)13-9-24-16(23)18(13)7-14(20)17-12(8-19)15(21)22-2/h3-6,9,12,19H,7-8H2,1-2H3,(H,17,20)/t12-/m1/s1