methyl 2-[[(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-[4-(2-amino-2-oxo-ethoxy)phenyl]-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[4-(2-amino-2-keto-ethoxy)phenyl]-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CC=C(C=C2)OCC(=O)N)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=CC=C(C=C2)OCC(=O)N)/C#N)C(=O)OC

InChI

InChI=1S/C21H21N3O5S/c1-12(2)17-9-16(21(27)28-3)20(30-17)24-19(26)14(10-22)8-13-4-6-15(7-5-13)29-11-18(23)25/h4-9,12H,11H2,1-3H3,(H2,23,25)(H,24,26)/b14-8+