methyl 3-bromanyl-2-(4-methylthiophen-2-yl)azulene-1-carboxylate

Systemtic Name: methyl 3-bromanyl-2-(4-methylthiophen-2-yl)azulene-1-carboxylate Openeye Name: methyl 3-bromo-2-(4-methyl-2-thienyl)azulene-1-carboxylate CAS Name: 3-bromo-2-(4-methyl-2-thiophenyl)-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-2-(4-methylthiophen-2-yl)azulene-1-carboxylate Traditional Name: 3-bromo-2-(4-methyl-2-thienyl)azulene-1-carboxylic acid methyl ester Formula: C17H13BrO2S MolecularWeight: 361.25292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=C(C3=CC=CC=CC3=C2Br)C(=O)OC

Isomeric SMILES

CC1=CSC(=C1)C2=C(C3=CC=CC=CC3=C2Br)C(=O)OC

InChI

InChI=1S/C17H13BrO2S/c1-10-8-13(21-9-10)15-14(17(19)20-2)11-6-4-3-5-7-12(11)16(15)18/h3-9H,1-2H3