3-methylbutyl 5-azanyl-6-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]-1H-indole-2-carboxylate

Systemtic Name: 3-methylbutyl 5-azanyl-6-[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]-1H-indole-2-carboxylate Openeye Name: isopentyl 5-amino-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-1H-indole-2-carboxylate CAS Name: 5-amino-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-1H-indole-2-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-amino-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-1H-indole-2-carboxylate Traditional Name: 5-amino-6-(1,1,4-triketo-1,2,5-thiadiazolidin-2-yl)-1H-indole-2-carboxylic acid isoamyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC2=CC(=C(C=C2N1)N3CC(=O)NS3(=O)=O)N

Isomeric SMILES

CC(C)CCOC(=O)C1=CC2=CC(=C(C=C2N1)N3CC(=O)NS3(=O)=O)N

InChI

InChI=1S/C16H20N4O5S/c1-9(2)3-4-25-16(22)13-6-10-5-11(17)14(7-12(10)18-13)20-8-15(21)19-26(20,23)24/h5-7,9,18H,3-4,8,17H2,1-2H3,(H,19,21)