methyl 4-[[[5-(cyclopropylcarbonylamino)thiophen-2-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-(cyclopropylcarbonylamino)thiophen-2-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[5-[[cyclopropyl(oxo)methyl]amino]-2-thiophenyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=C(S2)NC(=O)C3CC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC=C(S2)NC(=O)C3CC3

InChI

InChI=1S/C19H20N2O4S/c1-21(11-12-3-5-14(6-4-12)19(24)25-2)18(23)15-9-10-16(26-15)20-17(22)13-7-8-13/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,20,22)