3-[(4-ethylphenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-ethylphenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-ethylphenyl)methoxy]-5-[5-(isopropylamino)pentylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(4-ethylphenyl)methoxy]-5-[[oxo-[5-(propan-2-ylamino)pentylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-ethylphenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-ethylbenzyl)oxy-5-[5-(isopropylamino)pentylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCCNC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCCNC(C)C

InChI

InChI=1S/C22H32N4O4S/c1-4-16-8-10-17(11-9-16)14-30-19-18(21(27)28)20(31-26-19)25-22(29)24-13-7-5-6-12-23-15(2)3/h8-11,15,23H,4-7,12-14H2,1-3H3,(H,27,28)(H2,24,25,29)