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

Systemtic Name: ethyl 2-[(1-ethylbenzotriazol-5-yl)carbonylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(1-ethyl-5-benzotriazolyl)-oxomethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(1-ethylbenzotriazole-5-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)OCC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)OCC)N=N1

InChI

InChI=1S/C23H22N4O4S/c1-4-27-19-11-8-15(12-18(19)25-26-27)21(28)24-22-20(23(29)31-5-2)17(13-32-22)14-6-9-16(30-3)10-7-14/h6-13H,4-5H2,1-3H3,(H,24,28)