methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-(phenylcarbamothioylamino)amino]ethanoate

Systemtic Name: methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-(phenylcarbamothioylamino)amino]ethanoate Openeye Name: methyl 2-[(2-methoxy-2-oxo-ethyl)-(phenylcarbamothioylamino)amino]acetate CAS Name: 2-[[[anilino(sulfanylidene)methyl]amino]-(2-methoxy-2-oxoethyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-methoxy-2-oxoethyl)-(phenylcarbamothioylamino)amino]acetate Traditional Name: 2-[(2-keto-2-methoxy-ethyl)-(phenylthiocarbamoylamino)amino]acetic acid methyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC(=O)OC)NC(=S)NC1=CC=CC=C1

Isomeric SMILES

COC(=O)CN(CC(=O)OC)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C13H17N3O4S/c1-19-11(17)8-16(9-12(18)20-2)15-13(21)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,14,15,21)