5-(3-oxidanylpropylcarbamoylamino)-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-(3-oxidanylpropylcarbamoylamino)-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-benzylsulfanyl-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 5-[[(3-hydroxypropylamino)-oxomethyl]amino]-3-(phenylmethylthio)-4-isothiazolecarboxylic acid IUPAC Name: 3-benzylsulfanyl-5-(3-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(benzylthio)-5-(3-hydroxypropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NSC(=C2C(=O)O)NC(=O)NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NSC(=C2C(=O)O)NC(=O)NCCCO

InChI

InChI=1S/C15H17N3O4S2/c19-8-4-7-16-15(22)17-12-11(14(20)21)13(18-24-12)23-9-10-5-2-1-3-6-10/h1-3,5-6,19H,4,7-9H2,(H,20,21)(H2,16,17,22)