methyl 2-(2-naphthalen-1-ylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2-naphthalen-1-ylethanoylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-(1-naphthyl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(1-naphthalenyl)-1-oxoethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-naphthalen-1-ylacetyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(1-naphthyl)acetyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC4=CC=CC=C43)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CC3=CC=CC4=CC=CC=C43)S2)CC#C

InChI

InChI=1S/C24H18N2O3S/c1-3-13-26-20-12-11-18(23(28)29-2)14-21(20)30-24(26)25-22(27)15-17-9-6-8-16-7-4-5-10-19(16)17/h1,4-12,14H,13,15H2,2H3