methyl 3-prop-2-ynyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-prop-2-ynyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-prop-2-ynyl-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-prop-2-ynyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H14N2O3S2 MolecularWeight: 382.45606

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CS3)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=CS3)S2)CC#C

InChI

InChI=1S/C19H14N2O3S2/c1-3-10-21-15-8-6-13(18(23)24-2)12-16(15)26-19(21)20-17(22)9-7-14-5-4-11-25-14/h1,4-9,11-12H,10H2,2H3/b9-7+,20-19?