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

Systemtic Name: ethyl 2-[2-(4-ethylphenyl)ethanoylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-ethylphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-ethylphenyl)-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethylphenyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-ethylphenyl)acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC#C

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OCC)CC#C

InChI

InChI=1S/C23H22N2O3S/c1-4-13-25-19-12-11-18(22(27)28-6-3)15-20(19)29-23(25)24-21(26)14-17-9-7-16(5-2)8-10-17/h1,7-12,15H,5-6,13-14H2,2-3H3