methyl 2-[8-(2-acetamidoethyl)-6-(phenylcarbonyl)naphthalen-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[8-(2-acetamidoethyl)-6-(phenylcarbonyl)naphthalen-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[8-(2-acetamidoethyl)-6-benzoyl-2-naphthyl]sulfanyl]benzoate CAS Name: 2-[[8-(2-acetamidoethyl)-6-benzoyl-2-naphthalenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[8-(2-acetamidoethyl)-6-benzoylnaphthalen-2-yl]sulfanylbenzoate Traditional Name: 2-[[8-(2-acetamidoethyl)-6-benzoyl-2-naphthyl]thio]benzoic acid methyl ester Formula: C29H25NO4S MolecularWeight: 483.5781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)C(=O)C3=CC=CC=C3)SC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)C(=O)C3=CC=CC=C3)SC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C29H25NO4S/c1-19(31)30-15-14-22-17-23(28(32)20-8-4-3-5-9-20)16-21-12-13-24(18-26(21)22)35-27-11-7-6-10-25(27)29(33)34-2/h3-13,16-18H,14-15H2,1-2H3,(H,30,31)