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

Systemtic Name: ethyl 3-methyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S2/c1-3-23-17(22)12-6-8-14-15(11-12)25-18(20(14)2)19-16(21)9-7-13-5-4-10-24-13/h4-11H,3H2,1-2H3/b9-7+,19-18?