5-[(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-5-keto-valeric acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)O

InChI

InChI=1S/C16H22N2O4S/c1-2-9-6-7-10-11(8-9)23-16(14(10)15(17)22)18-12(19)4-3-5-13(20)21/h9H,2-8H2,1H3,(H2,17,22)(H,18,19)(H,20,21)