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

Systemtic Name: 2-methoxyethyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-indolin-1-ylsulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S2/c1-30-14-15-31-21(27)11-10-20(26)24-22(32)23-17-6-8-18(9-7-17)33(28,29)25-13-12-16-4-2-3-5-19(16)25/h2-9H,10-15H2,1H3,(H2,23,24,26,32)