ethyl 2-[5,7-dimethyl-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=NN(C(=C3)C)C(C)C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=NN(C(=C3)C)C(C)C)C)C

InChI

InChI=1S/C21H26N4O3S/c1-7-28-18(26)11-24-17-9-13(4)8-14(5)19(17)29-21(24)22-20(27)16-10-15(6)25(23-16)12(2)3/h8-10,12H,7,11H2,1-6H3