4-[4-[(6-methoxycyclohexa-2,4-dien-1-yl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid

Systemtic Name: 4-[4-[(6-methoxycyclohexa-2,4-dien-1-yl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid Openeye Name: 4-[4-[(6-methoxycyclohexa-2,4-dien-1-yl)sulfonylmethyl]-5-methyl-oxazol-2-yl]benzoic acid CAS Name: 4-[4-[(6-methoxy-1-cyclohexa-2,4-dienyl)sulfonylmethyl]-5-methyl-2-oxazolyl]benzoic acid IUPAC Name: 4-[4-[(6-methoxycyclohexa-2,4-dien-1-yl)sulfonylmethyl]-5-methyl-1,3-oxazol-2-yl]benzoic acid Traditional Name: 4-[4-[(6-methoxycyclohexa-2,4-dien-1-yl)sulfonylmethyl]-5-methyl-oxazol-2-yl]benzoic acid Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)O)CS(=O)(=O)C3C=CC=CC3OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)O)CS(=O)(=O)C3C=CC=CC3OC

InChI

InChI=1S/C19H19NO6S/c1-12-15(11-27(23,24)17-6-4-3-5-16(17)25-2)20-18(26-12)13-7-9-14(10-8-13)19(21)22/h3-10,16-17H,11H2,1-2H3,(H,21,22)