3-[3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate

Systemtic Name: 3-[3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: 3-[3-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoate IUPAC Name: 3-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Formula: C19H16N3O4S- MolecularWeight: 382.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)[O-])C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)[O-])C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C19H17N3O4S/c1-9-7-12(8-14-16(23)20-19(27)21-17(14)24)11(3)22(9)15-6-4-5-13(10(15)2)18(25)26/h4-8H,1-3H3,(H,25,26)(H2,20,21,23,24,27)/p-1