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

Systemtic Name: methyl 2-(2,5-dimethoxyphenyl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(2,5-dimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,5-dimethoxyphenyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,5-dimethoxybenzoyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(2,5-dimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C

InChI

InChI=1S/C21H20N2O5S/c1-5-10-23-16-8-6-13(20(25)28-4)11-18(16)29-21(23)22-19(24)15-12-14(26-2)7-9-17(15)27-3/h5-9,11-12H,1,10H2,2-4H3