[2-methoxy-4-[(E)-4-(3-nonylphenyl)but-3-en-2-yl]sulfanyl-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [2-methoxy-4-[(E)-4-(3-nonylphenyl)but-3-en-2-yl]sulfanyl-quinolin-3-yl] hydrogen carbonate Openeye Name: [2-methoxy-4-[(E)-1-methyl-3-(3-nonylphenyl)allyl]sulfanyl-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [2-methoxy-4-[[(E)-4-(3-nonylphenyl)but-3-en-2-yl]thio]-3-quinolinyl] ester IUPAC Name: [2-methoxy-4-[(E)-4-(3-nonylphenyl)but-3-en-2-yl]sulfanylquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [2-methoxy-4-[[(E)-1-methyl-3-(3-nonylphenyl)allyl]thio]-3-quinolyl] ester Formula: C30H37NO4S MolecularWeight: 507.68408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC(=C1)C=CC(C)SC2=C(C(=NC3=CC=CC=C32)OC)OC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC(=C1)/C=C/C(C)SC2=C(C(=NC3=CC=CC=C32)OC)OC(=O)O

InChI

InChI=1S/C30H37NO4S/c1-4-5-6-7-8-9-10-14-23-15-13-16-24(21-23)20-19-22(2)36-28-25-17-11-12-18-26(25)31-29(34-3)27(28)35-30(32)33/h11-13,15-22H,4-10,14H2,1-3H3,(H,32,33)/b20-19+