ethyl 2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(1-ethyl-5-benzotriazolyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C(=C(S3)C)C)C(=O)OCC)N=N1

InChI

InChI=1S/C18H20N4O3S/c1-5-22-14-8-7-12(9-13(14)20-21-22)16(23)19-17-15(18(24)25-6-2)10(3)11(4)26-17/h7-9H,5-6H2,1-4H3,(H,19,23)