methyl 2-[2-(4-methoxyphenyl)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-methoxyphenyl)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-methoxyphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-methoxyphenyl)-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxyphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-methoxyphenyl)acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-4-11-23-17-10-7-15(20(25)27-3)13-18(17)28-21(23)22-19(24)12-14-5-8-16(26-2)9-6-14/h1,5-10,13H,11-12H2,2-3H3