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

Systemtic Name: 3-[3-[[1-(3-carboxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4-chloranyl-benzoic acid Openeye Name: 3-[3-[[1-(3-carboxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4-chloro-benzoic acid CAS Name: 3-[3-[[1-(3-carboxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-4-chlorobenzoic acid IUPAC Name: 3-[3-[[1-(3-carboxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-4-chlorobenzoic acid Traditional Name: 3-[3-[[1-(3-carboxyphenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-4-chloro-benzoic acid Formula: C25H18ClN3O6S MolecularWeight: 523.94492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)C(=O)O)Cl)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)C(=O)O)Cl)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H18ClN3O6S/c1-12-8-16(13(2)28(12)20-11-15(24(34)35)6-7-19(20)26)10-18-21(30)27-25(36)29(22(18)31)17-5-3-4-14(9-17)23(32)33/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)