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

Systemtic Name: 5-(furan-2-ylmethylcarbamoylamino)-3-(phenylmethylsulfanyl)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-benzylsulfanyl-5-(2-furylmethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 5-[[(2-furanylmethylamino)-oxomethyl]amino]-3-(phenylmethylthio)-4-isothiazolecarboxylic acid IUPAC Name: 3-benzylsulfanyl-5-(furan-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(benzylthio)-5-(2-furfurylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NSC(=C2C(=O)O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NSC(=C2C(=O)O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C17H15N3O4S2/c21-16(22)13-14(19-17(23)18-9-12-7-4-8-24-12)26-20-15(13)25-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,21,22)(H2,18,19,23)