N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-3-(4,7-dimethyl-2-oxo-chromen-3-yl)propanamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)propanamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-3-(2-keto-4,7-dimethyl-chromen-3-yl)propionamide Formula: C21H22BrNO3S2 MolecularWeight: 480.43828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCCSCC3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCCSCC3=CC=C(S3)Br)C

InChI

InChI=1S/C21H22BrNO3S2/c1-13-3-5-16-14(2)17(21(25)26-18(16)11-13)6-8-20(24)23-9-10-27-12-15-4-7-19(22)28-15/h3-5,7,11H,6,8-10,12H2,1-2H3,(H,23,24)