ethyl 2-(3,5-dimethoxyphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethoxyphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(3,5-dimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3,5-dimethoxyphenyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethoxybenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(3,5-dimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-5-9-24-18-8-7-14(21(26)29-6-2)12-19(18)30-22(24)23-20(25)15-10-16(27-3)13-17(11-15)28-4/h5,7-8,10-13H,1,6,9H2,2-4H3