6-bromanyl-3-[2-[(2-oxidanyl-3-prop-2-enyl-phenyl)amino]-1,3-thiazol-4-yl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[2-[(2-oxidanyl-3-prop-2-enyl-phenyl)amino]-1,3-thiazol-4-yl]chromen-2-one Openeye Name: 3-[2-(3-allyl-2-hydroxy-anilino)thiazol-4-yl]-6-bromo-chromen-2-one CAS Name: 6-bromo-3-[2-(2-hydroxy-3-prop-2-enylanilino)-4-thiazolyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[2-(2-hydroxy-3-prop-2-enylanilino)-1,3-thiazol-4-yl]chromen-2-one Traditional Name: 3-[2-(3-allyl-2-hydroxy-anilino)thiazol-4-yl]-6-bromo-coumarin Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=CC=C1)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)O

Isomeric SMILES

C=CCC1=C(C(=CC=C1)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)O

InChI

InChI=1S/C21H15BrN2O3S/c1-2-4-12-5-3-6-16(19(12)25)23-21-24-17(11-28-21)15-10-13-9-14(22)7-8-18(13)27-20(15)26/h2-3,5-11,25H,1,4H2,(H,23,24)