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

Systemtic Name: methyl (E)-3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-cyano-3-(methylthio)acrylic acid methyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC1=C(C2=C(S1)CCCC2)C(=O)N)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\NC1=C(C2=C(S1)CCCC2)C(=O)N)/SC)/C#N

InChI

InChI=1S/C15H17N3O3S2/c1-21-15(20)9(7-16)13(22-2)18-14-11(12(17)19)8-5-3-4-6-10(8)23-14/h18H,3-6H2,1-2H3,(H2,17,19)/b13-9+