4-[[(6R)-3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(6R)-3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6R)-3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6R)-3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6R)-3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6R)-6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C18H25N2O4S- MolecularWeight: 365.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H26N2O4S/c1-4-18(2,3)10-5-6-11-12(9-10)25-17(15(11)16(19)24)20-13(21)7-8-14(22)23/h10H,4-9H2,1-3H3,(H2,19,24)(H,20,21)(H,22,23)/p-1/t10-/m1/s1