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

Systemtic Name: methyl 3-[3-[(4-azanyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoate Openeye Name: methyl 3-[3-(4-amino-2-methoxy-anilino)-3-oxo-propyl]sulfanylpropanoate CAS Name: 3-[[3-(4-amino-2-methoxyanilino)-3-oxopropyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-amino-2-methoxyanilino)-3-oxopropyl]sulfanylpropanoate Traditional Name: 3-[[3-(4-amino-2-methoxy-anilino)-3-keto-propyl]thio]propionic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-19-12-9-10(15)3-4-11(12)16-13(17)5-7-21-8-6-14(18)20-2/h3-4,9H,5-8,15H2,1-2H3,(H,16,17)