ethyl 3-(2-methylsulfanylethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CS3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CS3)S2)CCSC

InChI

InChI=1S/C20H20N2O3S3/c1-3-25-19(24)14-6-8-16-17(13-14)28-20(22(16)10-12-26-2)21-18(23)9-7-15-5-4-11-27-15/h4-9,11,13H,3,10,12H2,1-2H3/b9-7+,21-20?