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4-(4-methoxyphenyl)sulfanyl-3-(propanoylamino)benzoic acid

4-(4-methoxyphenyl)sulfanyl-3-(propanoylamino)benzoic acid

Systemtic Name:4-(4-methoxyphenyl)sulfanyl-3-(propanoylamino)benzoic acid
Openeye Name:4-(4-methoxyphenyl)sulfanyl-3-(propanoylamino)benzoic acid
CAS Name:4-[(4-methoxyphenyl)thio]-3-(1-oxopropylamino)benzoic acid
IUPAC Name:4-(4-methoxyphenyl)sulfanyl-3-(propanoylamino)benzoic acid
Traditional Name:4-[(4-methoxyphenyl)thio]-3-propionamido-benzoic acid
Formula: C17H17NO4S
MolecularWeight: 331.38618
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)OC


Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)C(=O)O)SC2=CC=C(C=C2)OC


InChI

InChI=1S/C17H17NO4S/c1-3-16(19)18-14-10-11(17(20)21)4-9-15(14)23-13-7-5-12(22-2)6-8-13/h4-10H,3H2,1-2H3,(H,18,19)(H,20,21)


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