[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C20H19N3O4S/c1-23-10-14(13-6-2-4-8-16(13)23)20(26)27-11-19(25)22-15-7-3-5-9-17(15)28-12-18(21)24/h2-10H,11-12H2,1H3,(H2,21,24)(H,22,25)