[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)prop-2-enoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(4-methoxy-3-morpholinosulfonyl-phenyl)prop-2-enoate CAS Name: 3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-methoxy-3-morpholinosulfonyl-phenyl)acrylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O7S2 MolecularWeight: 491.53734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H21N3O7S2/c1-29-17-4-2-15(12-18(17)33(27,28)24-7-9-30-10-8-24)3-5-20(26)31-14-19(25)23-21-16(13-22)6-11-32-21/h2-6,11-12H,7-10,14H2,1H3,(H,23,25)