methyl 2-[6-butyl-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-butyl-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-butyl-2-(1-isopropylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-butyl-2-(1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(1-isopropylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3)C(C)C)S2)CC(=O)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3)C(C)C)S2)CC(=O)OC

InChI

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