methyl 2-butanoylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-butanoylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-butanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxobutylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-butanoylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-butyrylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CC=C

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OC)CC=C

InChI

InChI=1S/C16H18N2O3S/c1-4-6-14(19)17-16-18(9-5-2)12-8-7-11(15(20)21-3)10-13(12)22-16/h5,7-8,10H,2,4,6,9H2,1,3H3