ethyl N-[(Z)-3-[azanyl-(2-methylsulfanylphenyl)amino]-2-cyano-prop-2-enoyl]carbamate

Systemtic Name: ethyl N-[(Z)-3-[azanyl-(2-methylsulfanylphenyl)amino]-2-cyano-prop-2-enoyl]carbamate Openeye Name: ethyl N-[(Z)-3-(N-amino-2-methylsulfanyl-anilino)-2-cyano-prop-2-enoyl]carbamate CAS Name: N-[(Z)-3-[N-amino-2-(methylthio)anilino]-2-cyano-1-oxoprop-2-enyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(Z)-3-(N-amino-2-methylsulfanylanilino)-2-cyanoprop-2-enoyl]carbamate Traditional Name: N-[(Z)-3-[N-amino-2-(methylthio)anilino]-2-cyano-acryloyl]carbamic acid ethyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C(=CN(C1=CC=CC=C1SC)N)C#N

Isomeric SMILES

CCOC(=O)NC(=O)/C(=C\N(C1=CC=CC=C1SC)N)/C#N

InChI

InChI=1S/C14H16N4O3S/c1-3-21-14(20)17-13(19)10(8-15)9-18(16)11-6-4-5-7-12(11)22-2/h4-7,9H,3,16H2,1-2H3,(H,17,19,20)/b10-9-