ethyl 5-[2-(benzotriazol-1-yl)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(benzotriazol-1-yl)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(benzotriazol-1-yl)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(benzotriazol-1-yl)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(benzotriazol-1-yl)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C3=CC=CC=C3N=N2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C3=CC=CC=C3N=N2)C#N)C

InChI

InChI=1S/C17H15N5O3S/c1-3-25-17(24)15-10(2)11(8-18)16(26-15)19-14(23)9-22-13-7-5-4-6-12(13)20-21-22/h4-7H,3,9H2,1-2H3,(H,19,23)