methyl 2-[2-(4-ethoxyphenyl)ethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-ethoxyphenyl)ethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(4-ethoxyphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(4-ethoxyphenyl)-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-ethoxyphenyl)acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-(2-p-phenetylacetyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H20N2O4S/c1-4-26-15-8-5-13(6-9-15)11-18(23)21-20-22(2)16-10-7-14(19(24)25-3)12-17(16)27-20/h5-10,12H,4,11H2,1-3H3