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

Systemtic Name: methyl 2-(3,5-dimethoxyphenyl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(3,5-dimethoxybenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3,5-dimethoxyphenyl)-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,5-dimethoxybenzoyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3,5-dimethoxybenzoyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-5-8-23-17-7-6-13(20(25)28-4)11-18(17)29-21(23)22-19(24)14-9-15(26-2)12-16(10-14)27-3/h1,6-7,9-12H,8H2,2-4H3