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

Systemtic Name: methyl 4-(2,3-dihydroindol-1-ylcarbothioylamino)butanoate Openeye Name: methyl 4-(indoline-1-carbothioylamino)butanoate CAS Name: 4-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydroindole-1-carbothioylamino)butanoate Traditional Name: 4-(indoline-1-carbothioylamino)butyric acid methyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCC2=CC=CC=C21

InChI

InChI=1S/C14H18N2O2S/c1-18-13(17)7-4-9-15-14(19)16-10-8-11-5-2-3-6-12(11)16/h2-3,5-6H,4,7-10H2,1H3,(H,15,19)