[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC=CC=C1SCC(=O)N

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC=CC=C1SCC(=O)N

InChI

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