methyl 4-methylsulfanyl-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]butanoate CAS Name: 4-(methylthio)-2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]butanoate Traditional Name: 2-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-4-(methylthio)butyric acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC=C1C=CC(=O)C=C1

Isomeric SMILES

COC(=O)C(CCSC)NC=C1C=CC(=O)C=C1

InChI

InChI=1S/C13H17NO3S/c1-17-13(16)12(7-8-18-2)14-9-10-3-5-11(15)6-4-10/h3-6,9,12,14H,7-8H2,1-2H3