2-[3-[(Z)-[1-(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(Z)-[1-(2-methylphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[(Z)-[1-(o-tolyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]acetic acid CAS Name: 2-[3-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1-indolyl]acetic acid IUPAC Name: 2-[3-[(Z)-[1-(2-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetic acid Traditional Name: 2-[3-[(Z)-[4,6-diketo-1-(o-tolyl)-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]indol-1-yl]acetic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C\C3=CN(C4=CC=CC=C43)CC(=O)O)/C(=O)NC2=S

InChI

InChI=1S/C22H17N3O4S/c1-13-6-2-4-8-17(13)25-21(29)16(20(28)23-22(25)30)10-14-11-24(12-19(26)27)18-9-5-3-7-15(14)18/h2-11H,12H2,1H3,(H,26,27)(H,23,28,30)/b16-10-