methyl 2-[3-[(2-azanyl-4-methoxy-phenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-[(2-azanyl-4-methoxy-phenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoate Openeye Name: methyl 2-[3-(2-amino-4-methoxy-anilino)-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-(2-amino-4-methoxyanilino)-3-oxopropyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(2-amino-4-methoxyanilino)-3-oxopropyl]sulfanylacetate Traditional Name: 2-[[3-(2-amino-4-methoxy-anilino)-3-keto-propyl]thio]acetic acid methyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSCC(=O)OC)N

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSCC(=O)OC)N

InChI

InChI=1S/C13H18N2O4S/c1-18-9-3-4-11(10(14)7-9)15-12(16)5-6-20-8-13(17)19-2/h3-4,7H,5-6,8,14H2,1-2H3,(H,15,16)