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

Systemtic Name: 4-[2,5-dimethyl-3-[[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2,5-dimethyl-3-[(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2,5-dimethyl-3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2,5-dimethyl-3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=C3C(=O)NC(=S)N(C3=O)C

InChI

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