2-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-4-ethylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]-4-ethylsulfanyl-butanoic acid Openeye Name: 2-[[2-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]-4-ethylsulfanyl-butanoic acid CAS Name: 2-[[2-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]-4-(ethylthio)butanoic acid IUPAC Name: 2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-4-ethylsulfanylbutanoic acid Traditional Name: 4-(ethylthio)-2-[[2-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)acetyl]amino]butyric acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C

Isomeric SMILES

CCSCCC(C(=O)O)NC(=O)CC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C

InChI

InChI=1S/C21H23NO6S/c1-4-29-6-5-16(20(24)25)22-19(23)8-15-12(3)14-7-13-11(2)10-27-17(13)9-18(14)28-21(15)26/h7,9-10,16H,4-6,8H2,1-3H3,(H,22,23)(H,24,25)