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

Systemtic Name: 2-[3-[[1-methyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]ethanoate Openeye Name: 2-[3-[(1-methyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]indol-1-yl]acetate CAS Name: 2-[3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1-indolyl]acetate IUPAC Name: 2-[3-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]indol-1-yl]acetate Traditional Name: 2-[3-[(4,6-diketo-1-methyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]indol-1-yl]acetate Formula: C16H12N3O4S- MolecularWeight: 342.34918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)[O-])C(=O)NC1=S

Isomeric SMILES

CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)[O-])C(=O)NC1=S

InChI

InChI=1S/C16H13N3O4S/c1-18-15(23)11(14(22)17-16(18)24)6-9-7-19(8-13(20)21)12-5-3-2-4-10(9)12/h2-7H,8H2,1H3,(H,20,21)(H,17,22,24)/p-1