ethyl (E)-2-cyano-5-[(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxidanylidene-pent-2-enoate

Systemtic Name: ethyl (E)-2-cyano-5-[(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxidanylidene-pent-2-enoate Openeye Name: ethyl (E)-2-cyano-5-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophen-2-yl)amino]-3-methyl-5-oxo-pent-2-enoate CAS Name: (E)-2-cyano-5-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxo-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-5-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)amino]-3-methyl-5-oxopent-2-enoate Traditional Name: (E)-2-cyano-5-[(3-cyano-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophen-2-yl)amino]-5-keto-3-methyl-pent-2-enoic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)CC(=O)NC1=C(C2=C(S1)C(=O)CC(C2)(C)C)C#N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C)/CC(=O)NC1=C(C2=C(S1)C(=O)CC(C2)(C)C)C#N)/C#N

InChI

InChI=1S/C20H21N3O4S/c1-5-27-19(26)13(9-21)11(2)6-16(25)23-18-14(10-22)12-7-20(3,4)8-15(24)17(12)28-18/h5-8H2,1-4H3,(H,23,25)/b13-11+