methyl 2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-[(2,5-dimethyl-3-furoyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC2=C(C3=C(S2)CCC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NC2=C(C3=C(S2)CCC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H19NO4S/c1-11-10-15(12(2)26-11)19(23)22-20-18(21(24)25-3)17-14-7-5-4-6-13(14)8-9-16(17)27-20/h4-7,10H,8-9H2,1-3H3,(H,22,23)