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

Systemtic Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxidanylidene-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxo-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-oxopyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-keto-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-4-24-10(2)15-12(9-14(21)23-3)19-20(16(15)22)17-18-11-7-5-6-8-13(11)25-17/h5-8H,4,9H2,1-3H3/b15-10-