methyl 7-methoxy-2-[(2-methylfuran-3-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 7-methoxy-2-[(2-methylfuran-3-yl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 7-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 7-methoxy-2-[[(2-methyl-3-furanyl)-oxomethyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 7-methoxy-2-[(2-methyl-3-furoyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NC2=C(C3=C(S2)CCC4=C3C=CC(=C4)OC)C(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)NC2=C(C3=C(S2)CCC4=C3C=CC(=C4)OC)C(=O)OC

InChI

InChI=1S/C21H19NO5S/c1-11-14(8-9-27-11)19(23)22-20-18(21(24)26-3)17-15-6-5-13(25-2)10-12(15)4-7-16(17)28-20/h5-6,8-10H,4,7H2,1-3H3,(H,22,23)