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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enyl]amino]-4-phenyl-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-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-phenylanthranil-5-yl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H21N3O4S MolecularWeight: 519.57044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C30H21N3O4S/c1-2-36-30(35)26-24(20-9-5-3-6-10-20)18-38-29(26)32-28(34)22(17-31)15-19-13-14-25-23(16-19)27(37-33-25)21-11-7-4-8-12-21/h3-16,18H,2H2,1H3,(H,32,34)/b22-15+