5-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[2-[(4-dimethylaminophenyl)carbonylamino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-methoxy-benzoic acid Openeye Name: 5-[[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]sulfanylmethyl]-2-methoxy-benzoic acid CAS Name: 5-[[[2-[[(4-dimethylaminophenyl)-oxomethyl]amino]-5-thiazolyl]thio]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[2-[[4-(dimethylamino)benzoyl]amino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[[4-(dimethylamino)benzoyl]amino]thiazol-5-yl]thio]methyl]-2-methoxy-benzoic acid Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H21N3O4S2/c1-24(2)15-7-5-14(6-8-15)19(25)23-21-22-11-18(30-21)29-12-13-4-9-17(28-3)16(10-13)20(26)27/h4-11H,12H2,1-3H3,(H,26,27)(H,22,23,25)