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

Systemtic Name: methyl 4-[[5-azanylidene-3-oxidanylidene-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(5-imino-3-oxo-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]benzoate CAS Name: 4-[[5-imino-3-oxo-4-(2-thiazolyl)-2-thiolanylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-imino-3-oxo-4-(1,3-thiazol-2-yl)thiolan-2-ylidene]methyl]benzoate Traditional Name: 4-[(5-imino-3-keto-4-thiazol-2-yl-tetrahydrothiophen-2-ylidene)methyl]benzoic acid methyl ester Formula: C16H12N2O3S2 MolecularWeight: 344.40808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)C(C(=N)S2)C3=NC=CS3

InChI

InChI=1S/C16H12N2O3S2/c1-21-16(20)10-4-2-9(3-5-10)8-11-13(19)12(14(17)23-11)15-18-6-7-22-15/h2-8,12,17H,1H3