methyl (2R)-3-(1,3-benzothiazol-2-yl)-2-(2-methoxy-2-oxidanylidene-ethyl)-5-phenylazanyl-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: methyl (2R)-3-(1,3-benzothiazol-2-yl)-2-(2-methoxy-2-oxidanylidene-ethyl)-5-phenylazanyl-1,3,4-thiadiazole-2-carboxylate Openeye Name: methyl (2R)-5-anilino-3-(1,3-benzothiazol-2-yl)-2-(2-methoxy-2-oxo-ethyl)-1,3,4-thiadiazole-2-carboxylate CAS Name: (2R)-5-anilino-3-(1,3-benzothiazol-2-yl)-2-(2-methoxy-2-oxoethyl)-1,3,4-thiadiazole-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-5-anilino-3-(1,3-benzothiazol-2-yl)-2-(2-methoxy-2-oxoethyl)-1,3,4-thiadiazole-2-carboxylate Traditional Name: (2R)-5-anilino-3-(1,3-benzothiazol-2-yl)-2-(2-keto-2-methoxy-ethyl)-1,3,4-thiadiazole-2-carboxylic acid methyl ester Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(N(N=C(S1)NC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

COC(=O)C[C@]1(N(N=C(S1)NC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C20H18N4O4S2/c1-27-16(25)12-20(17(26)28-2)24(19-22-14-10-6-7-11-15(14)29-19)23-18(30-20)21-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3,(H,21,23)/t20-/m1/s1