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

Systemtic Name: ethyl 2-[2-(benzotriazol-1-yl)ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H19N5O4S/c1-4-27-18(26)14-10(2)15(16(25)19-3)28-17(14)20-13(24)9-23-12-8-6-5-7-11(12)21-22-23/h5-8H,4,9H2,1-3H3,(H,19,25)(H,20,24)