2-methoxyethyl 4-[[2-cyanoethyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-cyanoethyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[benzyl(2-cyanoethyl)thiocarbamoyl]amino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C18H23N3O4S/c1-24-12-13-25-17(23)9-8-16(22)20-18(26)21(11-5-10-19)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-9,11-14H2,1H3,(H,20,22,26)