ethyl 2-[2-chloranyl-4-fluoranyl-5-[1,3,7,7-tetrakis(oxidanylidene)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepin-2-yl]phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-chloranyl-4-fluoranyl-5-[1,3,7,7-tetrakis(oxidanylidene)-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepin-2-yl]phenyl]sulfanylethanoate Openeye Name: ethyl 2-[2-chloro-4-fluoro-5-(1,3,7,7-tetraoxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepin-2-yl)phenyl]sulfanylacetate CAS Name: 2-[[2-chloro-4-fluoro-5-(1,3,7,7-tetraoxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepin-2-yl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-chloro-4-fluoro-5-(1,3,7,7-tetraoxo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepin-2-yl)phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-4-fluoro-5-(1,3,7,7-tetraketo-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-d][1,4,5]thiadiazepin-2-yl)phenyl]thio]acetic acid ethyl ester Formula: C16H17ClFN3O6S2 MolecularWeight: 465.904083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C(=C1)N2C(=O)N3CCS(=O)(=O)CCN3C2=O)F)Cl

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C(=C1)N2C(=O)N3CCS(=O)(=O)CCN3C2=O)F)Cl

InChI

InChI=1S/C16H17ClFN3O6S2/c1-2-27-14(22)9-28-13-8-12(11(18)7-10(13)17)21-15(23)19-3-5-29(25,26)6-4-20(19)16(21)24/h7-8H,2-6,9H2,1H3