4-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(6-tert-butyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(6-tert-butyl-3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyric acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H25NO5S/c1-18(2,3)10-5-6-11-12(9-10)25-16(15(11)17(23)24-4)19-13(20)7-8-14(21)22/h10H,5-9H2,1-4H3,(H,19,20)(H,21,22)