4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: 4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: 4-[[3-allyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-3-prop-2-enyl-5-thiazolidinylidene]methyl]benzoate IUPAC Name: 4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[[3-allyl-4-keto-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]thiazolidin-5-ylidene]methyl]benzoate Formula: C17H13N4O3S2- MolecularWeight: 385.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N=C2N(C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])S2)CC=C

Isomeric SMILES

CC1=NN=C(S1)N=C2N(C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])S2)CC=C

InChI

InChI=1S/C17H14N4O3S2/c1-3-8-21-14(22)13(9-11-4-6-12(7-5-11)15(23)24)26-17(21)18-16-20-19-10(2)25-16/h3-7,9H,1,8H2,2H3,(H,23,24)/p-1