ethyl 2-[[(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-phenylanthranil-5-yl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C26H21N3O4S/c1-4-32-26(31)22-15(2)16(3)34-25(22)28-24(30)19(14-27)12-17-10-11-21-20(13-17)23(33-29-21)18-8-6-5-7-9-18/h5-13H,4H2,1-3H3,(H,28,30)/b19-12+