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

Systemtic Name: methyl 4-[[4,6-bis(oxidanylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: methyl 4-[(1-allyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 4-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dioxo-1-prop-2-enyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 4-[(1-allyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid methyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S/c1-3-8-19-14(21)12(13(20)18-16(19)24)9-17-11-6-4-10(5-7-11)15(22)23-2/h3-7,9,17H,1,8H2,2H3,(H,18,20,24)