ethyl 10-[3-(cyclohexylcarbonylamino)propyl]-1-methyl-3H-benzo[f]thiochromene-3-carboxylate

Systemtic Name: ethyl 10-[3-(cyclohexylcarbonylamino)propyl]-1-methyl-3H-benzo[f]thiochromene-3-carboxylate Openeye Name: ethyl 10-[3-(cyclohexanecarbonylamino)propyl]-1-methyl-3H-benzo[f]thiochromene-3-carboxylate CAS Name: 10-[3-[[cyclohexyl(oxo)methyl]amino]propyl]-1-methyl-3H-benzo[f]thiochromene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 10-[3-(cyclohexanecarbonylamino)propyl]-1-methyl-3H-benzo[f]thiochromene-3-carboxylate Traditional Name: 10-[3-(cyclohexanecarbonylamino)propyl]-1-methyl-3H-benzo[f]thiochromene-3-carboxylic acid ethyl ester Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=C(C2=C(S1)C=CC3=C2C(=CC=C3)CCCNC(=O)C4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1C=C(C2=C(S1)C=CC3=C2C(=CC=C3)CCCNC(=O)C4CCCCC4)C

InChI

InChI=1S/C27H33NO3S/c1-3-31-27(30)23-17-18(2)24-22(32-23)15-14-20-12-7-11-19(25(20)24)13-8-16-28-26(29)21-9-5-4-6-10-21/h7,11-12,14-15,17,21,23H,3-6,8-10,13,16H2,1-2H3,(H,28,29)