methyl 2-acetamido-3-[(2E)-2-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate

Systemtic Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxidanylidene-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Openeye Name: methyl 2-acetamido-3-[(2E)-2-[[3-oxo-5-(2-thienyl)-1,2-dihydropyrazol-4-yl]methylene]indol-3-yl]propanoate CAS Name: 2-acetamido-3-[(2E)-2-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[(2E)-2-[(3-oxo-5-thiophen-2-yl-1,2-dihydropyrazol-4-yl)methylidene]indol-3-yl]propanoate Traditional Name: 2-acetamido-3-[(2E)-2-[[3-keto-5-(2-thienyl)-3-pyrazolin-4-yl]methylene]indol-3-yl]propionic acid methyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C2C=CC=CC2=NC1=CC3=C(NNC3=O)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC\1=C2C=CC=CC2=N/C1=C/C3=C(NNC3=O)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C22H20N4O4S/c1-12(27)23-18(22(29)30-2)10-14-13-6-3-4-7-16(13)24-17(14)11-15-20(25-26-21(15)28)19-8-5-9-31-19/h3-9,11,18H,10H2,1-2H3,(H,23,27)(H2,25,26,28)/b17-11+