methyl 2-(3H-benzo[f]thiochromen-10-yl)-3-(cyclopropylcarbonylamino)propanoate

Systemtic Name: methyl 2-(3H-benzo[f]thiochromen-10-yl)-3-(cyclopropylcarbonylamino)propanoate Openeye Name: methyl 2-(3H-benzo[f]thiochromen-10-yl)-3-(cyclopropanecarbonylamino)propanoate CAS Name: 2-(3H-benzo[f]thiochromen-10-yl)-3-[[cyclopropyl(oxo)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-(3H-benzo[f]thiochromen-10-yl)-3-(cyclopropanecarbonylamino)propanoate Traditional Name: 2-(3H-benzo[f]thiochromen-10-yl)-3-(cyclopropanecarbonylamino)propionic acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C1CC1)C2=CC=CC3=C2C4=C(C=C3)SCC=C4

Isomeric SMILES

COC(=O)C(CNC(=O)C1CC1)C2=CC=CC3=C2C4=C(C=C3)SCC=C4

InChI

InChI=1S/C21H21NO3S/c1-25-21(24)17(12-22-20(23)14-7-8-14)15-5-2-4-13-9-10-18-16(19(13)15)6-3-11-26-18/h2-6,9-10,14,17H,7-8,11-12H2,1H3,(H,22,23)