methyl 3-[4-[(5-azanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate

Systemtic Name: methyl 3-[4-[(5-azanyl-2-methyl-phenyl)amino]-4-oxidanylidene-butyl]sulfanylpropanoate Openeye Name: methyl 3-[4-(5-amino-2-methyl-anilino)-4-oxo-butyl]sulfanylpropanoate CAS Name: 3-[[4-(5-amino-2-methylanilino)-4-oxobutyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(5-amino-2-methylanilino)-4-oxobutyl]sulfanylpropanoate Traditional Name: 3-[[4-(5-amino-2-methyl-anilino)-4-keto-butyl]thio]propionic acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)CCCSCCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)CCCSCCC(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-11-5-6-12(16)10-13(11)17-14(18)4-3-8-21-9-7-15(19)20-2/h5-6,10H,3-4,7-9,16H2,1-2H3,(H,17,18)