3-[(5-chloranylthiophen-2-yl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(5-chloro-2-thienyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methoxy]-5-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(5-chloro-2-thienyl)methoxy]-5-(3-imidazol-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H16ClN5O4S2 MolecularWeight: 441.91234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)NC2=C(C(=NS2)OCC3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)NC2=C(C(=NS2)OCC3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C16H16ClN5O4S2/c17-11-3-2-10(27-11)8-26-13-12(15(23)24)14(28-21-13)20-16(25)19-4-1-6-22-7-5-18-9-22/h2-3,5,7,9H,1,4,6,8H2,(H,23,24)(H2,19,20,25)