[2-acetamido-3-(3-methylbutyl)-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate

Systemtic Name: [2-acetamido-3-(3-methylbutyl)-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate Openeye Name: [2-acetamido-3-isopentyl-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate CAS Name: carbonic acid [2-acetamido-6-(mercaptomethyl)-3-(3-methylbutyl)-1-azulenyl] ethyl ester IUPAC Name: [2-acetamido-3-(3-methylbutyl)-6-(sulfanylmethyl)azulen-1-yl] ethyl carbonate Traditional Name: carbonic acid [2-acetamido-3-isoamyl-6-(mercaptomethyl)azulen-1-yl] ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=C(C(=C2C1=CC=C(C=C2)CS)CCC(C)C)NC(=O)C

Isomeric SMILES

CCOC(=O)OC1=C(C(=C2C1=CC=C(C=C2)CS)CCC(C)C)NC(=O)C

InChI

InChI=1S/C21H27NO4S/c1-5-25-21(24)26-20-18-11-8-15(12-27)7-10-16(18)17(9-6-13(2)3)19(20)22-14(4)23/h7-8,10-11,13,27H,5-6,9,12H2,1-4H3,(H,22,23)