methyl 4-[4-(2-azanyl-2-sulfanylidene-ethyl)phenoxy]butanoate

Systemtic Name: methyl 4-[4-(2-azanyl-2-sulfanylidene-ethyl)phenoxy]butanoate Openeye Name: methyl 4-[4-(2-amino-2-thioxo-ethyl)phenoxy]butanoate CAS Name: 4-[4-(2-amino-2-sulfanylideneethyl)phenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[4-(2-amino-2-sulfanylideneethyl)phenoxy]butanoate Traditional Name: 4-[4-(2-amino-2-thioxo-ethyl)phenoxy]butyric acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=CC=C(C=C1)CC(=S)N

Isomeric SMILES

COC(=O)CCCOC1=CC=C(C=C1)CC(=S)N

InChI

InChI=1S/C13H17NO3S/c1-16-13(15)3-2-8-17-11-6-4-10(5-7-11)9-12(14)18/h4-7H,2-3,8-9H2,1H3,(H2,14,18)