methyl 4-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[5-azanylidene-4-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-oxidanylidene-thiolan-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-tetrahydrothiophen-2-ylidene]methyl]benzoate CAS Name: 4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxo-2-thiolanylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-oxothiolan-2-ylidene]methyl]benzoate Traditional Name: 4-[[4-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-imino-3-keto-tetrahydrothiophen-2-ylidene]methyl]benzoic acid methyl ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=N

Isomeric SMILES

CCC1=NN=C(S1)C2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=N

InChI

InChI=1S/C17H15N3O3S2/c1-3-12-19-20-16(25-12)13-14(21)11(24-15(13)18)8-9-4-6-10(7-5-9)17(22)23-2/h4-8,13,18H,3H2,1-2H3