methyl 2-[[4-[(4-chloranylpyrazol-1-yl)methyl]thiophen-2-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(4-chloranylpyrazol-1-yl)methyl]thiophen-2-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-chloro-1-pyrazolyl)methyl]-2-thiophenyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl)C(=O)OC

InChI

InChI=1S/C17H16ClN3O3S2/c1-3-12-5-13(17(23)24-2)16(26-12)20-15(22)14-4-10(9-25-14)7-21-8-11(18)6-19-21/h4-6,8-9H,3,7H2,1-2H3,(H,20,22)