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

Systemtic Name: 4-[[(6R)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-but-2-enoate CAS Name: 4-[[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxo-2-butenoate IUPAC Name: 4-[[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobut-2-enoate Traditional Name: 4-[[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-but-2-enoate Formula: C17H21N2O4S- MolecularWeight: 349.42464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-17(2,3)9-4-5-10-11(8-9)24-16(14(10)15(18)23)19-12(20)6-7-13(21)22/h6-7,9H,4-5,8H2,1-3H3,(H2,18,23)(H,19,20)(H,21,22)/p-1/t9-/m1/s1