(5-chloranylthiophen-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-keto-ethyl]ammonium Formula: C19H21ClN3O4S+ MolecularWeight: 422.90574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Cl)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H20ClN3O4S/c1-2-7-23(11-14-4-6-17(20)28-14)12-18(24)22-19(25)21-13-3-5-15-16(10-13)27-9-8-26-15/h2-6,10H,1,7-9,11-12H2,(H2,21,22,24,25)/p+1