methyl 3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]propanoate Openeye Name: methyl 3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]propanoate CAS Name: 3-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]propanoate Traditional Name: 3-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]propionic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3S/c1-11-13-10-14(16(22)18-9-8-15(21)23-2)24-17(13)20(19-11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,18,22)