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

Systemtic Name: phenethyl 4-(2,3-dihydroindol-1-ylcarbothioylamino)-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-(indoline-1-carbothioylamino)-4-oxo-butanoate CAS Name: 4-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-(2,3-dihydroindole-1-carbothioylamino)-4-oxobutanoate Traditional Name: 4-(indoline-1-carbothioylamino)-4-keto-butyric acid phenethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c24-19(10-11-20(25)26-15-13-16-6-2-1-3-7-16)22-21(27)23-14-12-17-8-4-5-9-18(17)23/h1-9H,10-15H2,(H,22,24,27)