[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H13ClN2O5S2 MolecularWeight: 364.82502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NCC#C)S(=O)(=O)C1=CC=C(S1)Cl

Isomeric SMILES

CN(CC(=O)OCC(=O)NCC#C)S(=O)(=O)C1=CC=C(S1)Cl

InChI

InChI=1S/C12H13ClN2O5S2/c1-3-6-14-10(16)8-20-11(17)7-15(2)22(18,19)12-5-4-9(13)21-12/h1,4-5H,6-8H2,2H3,(H,14,16)