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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C17H21BrN4O4S MolecularWeight: 457.34204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C(C)CN2C=C(C=N2)Br)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C(C)CN2C=C(C=N2)Br)C(=O)N

InChI

InChI=1S/C17H21BrN4O4S/c1-8(2)26-17(25)12-10(4)13(14(19)23)27-16(12)21-15(24)9(3)6-22-7-11(18)5-20-22/h5,7-9H,6H2,1-4H3,(H2,19,23)(H,21,24)