4-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(5-bromo-2-thiophenyl)methyl-methylamino]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN(C)CC3=CC=C(S3)Br)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN(C)CC3=CC=C(S3)Br)O

InChI

InChI=1S/C17H16BrNO3S/c1-10-14(20)5-4-13-11(7-16(21)22-17(10)13)8-19(2)9-12-3-6-15(18)23-12/h3-7,20H,8-9H2,1-2H3