2-[[6-[(5-methyl-1H-pyrazol-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(5-methyl-1H-pyrazol-3-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

Isomeric SMILES

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

InChI

InChI=1S/C16H16N4O3S2/c1-9-7-13(20-19-9)15(22)17-11-3-4-12-14(8-11)25-16(18-12)24-6-5-23-10(2)21/h3-4,7-8H,5-6H2,1-2H3,(H,17,22)(H,19,20)