5-[[2-(cyclopropylcarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methyl-benzoic acid

Systemtic Name: 5-[[2-(cyclopropylcarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methyl-benzoic acid Openeye Name: 5-[2-(cyclopropanecarbonylamino)thiazol-5-yl]sulfanyl-2-methoxy-4-methyl-benzoic acid CAS Name: 5-[[2-[[cyclopropyl(oxo)methyl]amino]-5-thiazolyl]thio]-2-methoxy-4-methylbenzoic acid IUPAC Name: 5-[[2-(cyclopropanecarbonylamino)-1,3-thiazol-5-yl]sulfanyl]-2-methoxy-4-methylbenzoic acid Traditional Name: 5-[[2-(cyclopropanecarbonylamino)thiazol-5-yl]thio]-2-methoxy-4-methyl-benzoic acid Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C(=O)O)SC2=CN=C(S2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C(=O)O)SC2=CN=C(S2)NC(=O)C3CC3

InChI

InChI=1S/C16H16N2O4S2/c1-8-5-11(22-2)10(15(20)21)6-12(8)23-13-7-17-16(24-13)18-14(19)9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,20,21)(H,17,18,19)