4-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(5-bromo-2-thiophenyl)methyl-methylamino]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(5-bromo-2-thienyl)methyl-methyl-amino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(S3)Br)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC=C(S3)Br)O

InChI

InChI=1S/C18H18BrNO3S/c1-3-11-6-14-12(7-18(22)23-16(14)8-15(11)21)9-20(2)10-13-4-5-17(19)24-13/h4-8,21H,3,9-10H2,1-2H3