methyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]benzoate

Systemtic Name: methyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethylamino]benzoate Openeye Name: methyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethylamino]benzoate CAS Name: 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-4-pyrazolylidene]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxopyrazol-4-ylidene]ethylamino]benzoate Traditional Name: 2-[1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]ethylamino]benzoic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2C(=O)OC)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=NN(C(=O)C1=C(C)NC2=CC=CC=C2C(=O)OC)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4O3S/c1-12(22-15-9-5-4-8-14(15)20(27)28-3)18-13(2)24-25(19(18)26)21-23-16-10-6-7-11-17(16)29-21/h4-11,22H,1-3H3