methyl 3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1H-indole-2-carboxylate Openeye Name: methyl 3-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-1H-indole-2-carboxylate CAS Name: 3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-1H-indole-2-carboxylate Traditional Name: 3-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-1H-indole-2-carboxylic acid methyl ester Formula: C15H11N3O4S MolecularWeight: 329.33054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C15H11N3O4S/c1-22-14(21)11-8(7-4-2-3-5-10(7)16-11)6-9-12(19)17-15(23)18-13(9)20/h2-6,16H,1H3,(H2,17,18,19,20,23)