2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methyl-amino]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methyl-amino]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[2-(3,5-dimethylisoxazol-4-yl)ethyl-methyl-amino]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[2-(3,5-dimethyl-4-isoxazolyl)ethyl-methylamino]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl-methylamino]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[2-(3,5-dimethylisoxazol-4-yl)ethyl-methyl-amino]-5-(2-thenoylamino)benzoic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCN(C)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CCN(C)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C20H21N3O4S/c1-12-15(13(2)27-22-12)8-9-23(3)17-7-6-14(11-16(17)20(25)26)21-19(24)18-5-4-10-28-18/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,25,26)