4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-methyl-benzoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H17NO5S/c1-11-8-12(18(21)22)2-4-14(11)19-17(20)10-25-13-3-5-15-16(9-13)24-7-6-23-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,20)(H,21,22)