methyl 4-(2,3-dihydroindol-1-ylcarbothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(2,3-dihydroindol-1-ylcarbothioylamino)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(indoline-1-carbothioylamino)-4-oxo-butanoate CAS Name: 4-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydroindole-1-carbothioylamino)-4-oxobutanoate Traditional Name: 4-(indoline-1-carbothioylamino)-4-keto-butyric acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)N1CCC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)N1CCC2=CC=CC=C21

InChI

InChI=1S/C14H16N2O3S/c1-19-13(18)7-6-12(17)15-14(20)16-9-8-10-4-2-3-5-11(10)16/h2-5H,6-9H2,1H3,(H,15,17,20)