[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C22H21N3O4S/c1-14(26)24-18(11-15-7-3-2-4-8-15)22(28)29-13-20(27)25-21-17(12-23)16-9-5-6-10-19(16)30-21/h2-4,7-8,11H,5-6,9-10,13H2,1H3,(H,24,26)(H,25,27)/b18-11-