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

Systemtic Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-oxidanylidene-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-oxo-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylidene)-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(dimethylaminomethylene)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-19(2)9-10-12(8-14(21)23-3)18-20(15(10)22)16-17-11-6-4-5-7-13(11)24-16/h4-7,9H,8H2,1-3H3/b10-9-