2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-hydroxy-propanoic acid CAS Name: 2-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-hydroxypropanoic acid Traditional Name: 2-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]-3-hydroxy-propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NC(CO)C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-2-8-3-4-11-9(5-8)6-12(20-11)13(17)15-10(7-16)14(18)19/h6,8,10,16H,2-5,7H2,1H3,(H,15,17)(H,18,19)