methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-4-(1-phenylazanylethylidene)pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4E)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-4-(1-phenylazanylethylidene)pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazol-2-yl)-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazol-2-yl)-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4E)-4-(1-anilinoethylidene)-1-(1,3-benzothiazol-2-yl)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)NC4=CC=CC=C4

Isomeric SMILES

C/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)/NC4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-13(22-14-8-4-3-5-9-14)19-16(12-18(26)28-2)24-25(20(19)27)21-23-15-10-6-7-11-17(15)29-21/h3-11,22H,12H2,1-2H3/b19-13+