ethyl 2-[[(E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-[1-(2-amino-2-oxo-ethyl)indol-3-yl]-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[1-(2-amino-2-oxoethyl)-3-indolyl]-2-cyano-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[1-(2-amino-2-keto-ethyl)indol-3-yl]-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)N)/C#N

InChI

InChI=1S/C24H24N4O4S/c1-4-32-24(31)18-10-20(14(2)3)33-23(18)27-22(30)15(11-25)9-16-12-28(13-21(26)29)19-8-6-5-7-17(16)19/h5-10,12,14H,4,13H2,1-3H3,(H2,26,29)(H,27,30)/b15-9+