4-[2-chloranyl-5-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-chloranyl-5-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-chloro-5-(methoxycarbonylamino)-4,5,6,7-tetrahydrobenzothiophen-3-yl]-4-oxo-butanoic acid CAS Name: 4-[2-chloro-5-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-4-oxobutanoic acid IUPAC Name: 4-[2-chloro-5-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(carbomethoxyamino)-2-chloro-4,5,6,7-tetrahydrobenzothiophen-3-yl]-4-keto-butyric acid Formula: C14H16ClNO5S MolecularWeight: 345.79854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1CCC2=C(C1)C(=C(S2)Cl)C(=O)CCC(=O)O

Isomeric SMILES

COC(=O)NC1CCC2=C(C1)C(=C(S2)Cl)C(=O)CCC(=O)O

InChI

InChI=1S/C14H16ClNO5S/c1-21-14(20)16-7-2-4-10-8(6-7)12(13(15)22-10)9(17)3-5-11(18)19/h7H,2-6H2,1H3,(H,16,20)(H,18,19)