propyl 5-aminocarbonyl-2-[[3-(4-chloranylpyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 5-aminocarbonyl-2-[[3-(4-chloranylpyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-2-[[3-(4-chloropyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[3-(4-chloro-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-2-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[3-(4-chloropyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)CN2C=C(C=N2)Cl

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)CN2C=C(C=N2)Cl

InChI

InChI=1S/C17H21ClN4O4S/c1-4-5-26-17(25)12-10(3)13(14(19)23)27-16(12)21-15(24)9(2)7-22-8-11(18)6-20-22/h6,8-9H,4-5,7H2,1-3H3,(H2,19,23)(H,21,24)