ethyl 2-[(E)-3-phenylprop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(E)-3-phenylprop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(E)-3-phenylprop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(E)-1-oxo-3-phenylprop-2-enyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-3-phenylprop-2-enoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(E)-3-phenylacryloyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S/c1-3-14-24-18-12-11-17(21(26)27-4-2)15-19(18)28-22(24)23-20(25)13-10-16-8-6-5-7-9-16/h1,5-13,15H,4,14H2,2H3/b13-10+,23-22?