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

Systemtic Name: methyl 2-[[4-[(4-chloranylpyrazol-1-yl)methyl]thiophen-2-yl]carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(4-chloro-1-pyrazolyl)methyl]-2-thiophenyl]-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carbonyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=CS2)CN3C=C(C=N3)Cl)C

InChI

InChI=1S/C18H18ClN3O3S2/c1-4-13-10(2)27-17(15(13)18(24)25-3)21-16(23)14-5-11(9-26-14)7-22-8-12(19)6-20-22/h5-6,8-9H,4,7H2,1-3H3,(H,21,23)