(E)-4-[[(6S)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-methyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[(6S)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-methyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-methyl-4-oxo-but-2-enoate CAS Name: (E)-4-[[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-methyl-4-oxo-2-butenoate IUPAC Name: (E)-4-[[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-methyl-4-oxobut-2-enoate Traditional Name: (E)-4-[[(6S)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-2-methyl-but-2-enoate Formula: C18H23N2O4S- MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)N)C(=O)[O-]

Isomeric SMILES

C/C(=C\C(=O)NC1=C(C2=C(S1)C[C@H](CC2)C(C)(C)C)C(=O)N)/C(=O)[O-]

InChI

InChI=1S/C18H24N2O4S/c1-9(17(23)24)7-13(21)20-16-14(15(19)22)11-6-5-10(18(2,3)4)8-12(11)25-16/h7,10H,5-6,8H2,1-4H3,(H2,19,22)(H,20,21)(H,23,24)/p-1/b9-7+/t10-/m0/s1