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

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(5-chloro-2-thienyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methylthio]-5-[[oxo-[3-(1-pyrrolidinyl)propylamino]methyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(5-chloro-2-thienyl)methylthio]-5-(3-pyrrolidinopropylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C17H21ClN4O3S3 MolecularWeight: 461.02164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)NC2=C(C(=NS2)SCC3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1CCN(C1)CCCNC(=O)NC2=C(C(=NS2)SCC3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C17H21ClN4O3S3/c18-12-5-4-11(27-12)10-26-15-13(16(23)24)14(28-21-15)20-17(25)19-6-3-9-22-7-1-2-8-22/h4-5H,1-3,6-10H2,(H,23,24)(H2,19,20,25)