2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C11H12ClNO3S MolecularWeight: 273.73588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCl)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCl)C(=O)O

InChI

InChI=1S/C11H12ClNO3S/c12-5-8(14)13-10-9(11(15)16)6-3-1-2-4-7(6)17-10/h1-5H2,(H,13,14)(H,15,16)