4-(2-butylsulfanylethanoylamino)-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-(2-butylsulfanylethanoylamino)-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 4-[(2-butylsulfanylacetyl)amino]-5-chloro-2-methoxy-benzoic acid CAS Name: 4-[[2-(butylthio)-1-oxoethyl]amino]-5-chloro-2-methoxybenzoic acid IUPAC Name: 4-[(2-butylsulfanylacetyl)amino]-5-chloro-2-methoxybenzoic acid Traditional Name: 4-[[2-(butylthio)acetyl]amino]-5-chloro-2-methoxy-benzoic acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

Isomeric SMILES

CCCCSCC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl

InChI

InChI=1S/C14H18ClNO4S/c1-3-4-5-21-8-13(17)16-11-7-12(20-2)9(14(18)19)6-10(11)15/h6-7H,3-5,8H2,1-2H3,(H,16,17)(H,18,19)