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

Systemtic Name: 3-[(5-chloranylthiophen-2-yl)methylsulfanyl]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(5-chloro-2-thienyl)methylsulfanyl]-5-(2-morpholinoethylcarbamoylamino)isothiazole-4-carboxylic acid CAS Name: 3-[(5-chloro-2-thiophenyl)methylthio]-5-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-5-(2-morpholin-4-ylethylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(5-chloro-2-thienyl)methylthio]-5-(2-morpholinoethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H19ClN4O4S3 MolecularWeight: 462.99446

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)NC2=C(C(=NS2)SCC3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1COCCN1CCNC(=O)NC2=C(C(=NS2)SCC3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C16H19ClN4O4S3/c17-11-2-1-10(27-11)9-26-14-12(15(22)23)13(28-20-14)19-16(24)18-3-4-21-5-7-25-8-6-21/h1-2H,3-9H2,(H,22,23)(H2,18,19,24)