ethyl 2-(3-phenylpropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3-phenylpropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxo-3-phenylpropyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-phenylpropanoylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-hydrocinnamoylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C22H22N2O3S/c1-3-14-24-18-12-11-17(21(26)27-4-2)15-19(18)28-22(24)23-20(25)13-10-16-8-6-5-7-9-16/h3,5-9,11-12,15H,1,4,10,13-14H2,2H3