ethyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-indolin-1-ylsulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O5S2/c1-2-29-20(26)12-11-19(25)23-21(30)22-16-7-9-17(10-8-16)31(27,28)24-14-13-15-5-3-4-6-18(15)24/h3-10H,2,11-14H2,1H3,(H2,22,23,25,30)