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

Systemtic Name: methyl 2-[4-[(4-azanyl-2-methoxy-phenyl)amino]-4-oxidanylidene-butyl]sulfanylethanoate Openeye Name: methyl 2-[4-(4-amino-2-methoxy-anilino)-4-oxo-butyl]sulfanylacetate CAS Name: 2-[[4-(4-amino-2-methoxyanilino)-4-oxobutyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-amino-2-methoxyanilino)-4-oxobutyl]sulfanylacetate Traditional Name: 2-[[4-(4-amino-2-methoxy-anilino)-4-keto-butyl]thio]acetic 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)CCCSCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-19-12-8-10(15)5-6-11(12)16-13(17)4-3-7-21-9-14(18)20-2/h5-6,8H,3-4,7,9,15H2,1-2H3,(H,16,17)