methyl 3-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H15N5O3S2 MolecularWeight: 413.4734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(SC=C4)C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=C(SC=C4)C(=O)OC

InChI

InChI=1S/C18H15N5O3S2/c1-23-12-6-4-3-5-10(12)14-16(23)20-18(22-21-14)28-9-13(24)19-11-7-8-27-15(11)17(25)26-2/h3-8H,9H2,1-2H3,(H,19,24)