methyl 2-[2-(phenylmethylsulfanyl)ethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(phenylmethylsulfanyl)ethanoylimino]-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(2-benzylsulfanylacetyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[1-oxo-2-(phenylmethylthio)ethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-benzylsulfanylacetyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-[2-(benzylthio)acetyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CC=C

InChI

InChI=1S/C21H20N2O3S2/c1-3-11-23-17-10-9-16(20(25)26-2)12-18(17)28-21(23)22-19(24)14-27-13-15-7-5-4-6-8-15/h3-10,12H,1,11,13-14H2,2H3