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

Systemtic Name: methyl 2-[6-bromanyl-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H19BrN4O3S MolecularWeight: 451.33746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

InChI

InChI=1S/C18H19BrN4O3S/c1-10(2)23-11(3)7-13(21-23)17(25)20-18-22(9-16(24)26-4)14-6-5-12(19)8-15(14)27-18/h5-8,10H,9H2,1-4H3