ethyl 5-[(1-ethylbenzotriazol-5-yl)carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1-ethylbenzotriazol-5-yl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(1-ethylbenzotriazole-5-carbonyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(1-ethyl-5-benzotriazolyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-ethylbenzotriazole-5-carbonyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(1-ethylbenzotriazole-5-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S/c1-4-21-13-7-6-11(9-12(13)19-20-21)16(22)18-14-8-10(3)15(25-14)17(23)24-5-2/h6-9H,4-5H2,1-3H3,(H,18,22)