butyl 4-[[5-(cyclopropylcarbonylamino)-3-methyl-thiophen-2-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[5-(cyclopropylcarbonylamino)-3-methyl-thiophen-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[[cyclopropyl(oxo)methyl]amino]-3-methyl-2-thiophenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-(cyclopropanecarbonylamino)-3-methyl-thiophene-2-carbonyl]amino]benzoic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(S2)NC(=O)C3CC3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(S2)NC(=O)C3CC3)C

InChI

InChI=1S/C21H24N2O4S/c1-3-4-11-27-21(26)15-7-9-16(10-8-15)22-20(25)18-13(2)12-17(28-18)23-19(24)14-5-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)(H,23,24)