ethyl 2-[6-butyl-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-butyl-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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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)C)S2)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3S/c1-6-8-9-17-10-11-19-20(13-17)31-23(26(19)14-21(28)30-7-2)24-22(29)18-12-16(5)27(25-18)15(3)4/h10-13,15H,6-9,14H2,1-5H3