ethyl 3-[[6-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-2,8-dimethyl-phenoxathiin-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[6-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-2,8-dimethyl-phenoxathiin-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[6-[(3-ethoxy-3-oxo-propyl)carbamoyl]-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]propanoate CAS Name: 3-[[[6-[[(3-ethoxy-3-oxopropyl)amino]-oxomethyl]-2,8-dimethyl-4-phenoxathiinyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[(3-ethoxy-3-oxopropyl)carbamoyl]-2,8-dimethylphenoxathiine-4-carbonyl]amino]propanoate Traditional Name: 3-[[6-[(3-ethoxy-3-keto-propyl)carbamoyl]-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]propionic acid ethyl ester Formula: C26H30N2O7S MolecularWeight: 514.5906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC(=CC2=C1OC3=C(S2)C=C(C=C3C(=O)NCCC(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC(=CC2=C1OC3=C(S2)C=C(C=C3C(=O)NCCC(=O)OCC)C)C

InChI

InChI=1S/C26H30N2O7S/c1-5-33-21(29)7-9-27-25(31)17-11-15(3)13-19-23(17)35-24-18(12-16(4)14-20(24)36-19)26(32)28-10-8-22(30)34-6-2/h11-14H,5-10H2,1-4H3,(H,27,31)(H,28,32)