[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-methylbut-2-enoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C15H18N2O4S MolecularWeight: 322.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC(=O)NC1=CC=CC=C1SCC(=O)N)C

Isomeric SMILES

CC(=CC(=O)OCC(=O)NC1=CC=CC=C1SCC(=O)N)C

InChI

InChI=1S/C15H18N2O4S/c1-10(2)7-15(20)21-8-14(19)17-11-5-3-4-6-12(11)22-9-13(16)18/h3-7H,8-9H2,1-2H3,(H2,16,18)(H,17,19)