methyl 2-(1,4-dimethylpyrazol-3-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(1,4-dimethylpyrazol-3-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(1,4-dimethylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,4-dimethylpyrazole-3-carbonyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(1,4-dimethylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C)C

InChI

InChI=1S/C18H18N4O3S/c1-5-8-22-13-7-6-12(17(24)25-4)9-14(13)26-18(22)19-16(23)15-11(2)10-21(3)20-15/h5-7,9-10H,1,8H2,2-4H3