methyl 4-[[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoate CAS Name: 4-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoate Traditional Name: 4-[(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid methyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C

InChI

InChI=1S/C16H14N2O4S/c1-3-8-18-14(20)12(13(19)17-16(18)23)9-10-4-6-11(7-5-10)15(21)22-2/h3-7,9H,1,8H2,2H3,(H,17,19,23)