ethyl 5-[2-(1-bromanylnaphthalen-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(1-bromanylnaphthalen-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[(1-bromo-2-naphthyl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(1-bromo-2-naphthalenyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-bromonaphthalen-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(1-bromo-2-naphthyl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H18BrNO3S2 MolecularWeight: 464.39582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br)C

InChI

InChI=1S/C20H18BrNO3S2/c1-3-25-20(24)19-12(2)10-17(27-19)22-16(23)11-26-15-9-8-13-6-4-5-7-14(13)18(15)21/h4-10H,3,11H2,1-2H3,(H,22,23)