ethyl (E)-3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-cyano-acrylic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C2=C(S1)CCCC2)C(=O)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C2=C(S1)CCCC2)C(=O)N)/C#N

InChI

InChI=1S/C15H17N3O3S/c1-2-21-15(20)9(7-16)8-18-14-12(13(17)19)10-5-3-4-6-11(10)22-14/h8,18H,2-6H2,1H3,(H2,17,19)/b9-8+