6-chloranyl-7-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[methyl(3-thienylmethyl)amino]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[methyl(3-thiophenylmethyl)amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[methyl(3-thenyl)amino]methyl]coumarin Formula: C17H16ClNO2S MolecularWeight: 333.83244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CSC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CSC=C3)Cl

InChI

InChI=1S/C17H16ClNO2S/c1-11-5-16-14(7-15(11)18)13(6-17(20)21-16)9-19(2)8-12-3-4-22-10-12/h3-7,10H,8-9H2,1-2H3