methyl 4-[[2-(ethylsulfanylmethyl)phenyl]carbonyl-[2-(1H-indol-3-yl)ethyl]amino]-2-methylidene-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-(ethylsulfanylmethyl)phenyl]carbonyl-[2-(1H-indol-3-yl)ethyl]amino]-2-methylidene-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(ethylsulfanylmethyl)benzoyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-methylene-4-oxo-butanoate CAS Name: 4-[[[2-[(ethylthio)methyl]phenyl]-oxomethyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-methylene-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(ethylsulfanylmethyl)benzoyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-methylidene-4-oxobutanoate Traditional Name: 2-[2-[[2-[(ethylthio)methyl]benzoyl]-[2-(1H-indol-3-yl)ethyl]amino]-2-keto-ethyl]acrylic acid methyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CC=CC=C1C(=O)N(CCC2=CNC3=CC=CC=C32)C(=O)CC(=C)C(=O)OC

Isomeric SMILES

CCSCC1=CC=CC=C1C(=O)N(CCC2=CNC3=CC=CC=C32)C(=O)CC(=C)C(=O)OC

InChI

InChI=1S/C26H28N2O4S/c1-4-33-17-20-9-5-6-11-22(20)25(30)28(24(29)15-18(2)26(31)32-3)14-13-19-16-27-23-12-8-7-10-21(19)23/h5-12,16,27H,2,4,13-15,17H2,1,3H3