ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-4-(4-pyrrol-1-ylphenyl)pent-4-enoate

Systemtic Name: ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-4-(4-pyrrol-1-ylphenyl)pent-4-enoate Openeye Name: ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-4-(4-pyrrol-1-ylphenyl)pent-4-enoate CAS Name: (2R)-2-[[(R)-tert-butylsulfinyl]amino]-4-[4-(1-pyrrolyl)phenyl]-4-pentenoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-4-(4-pyrrol-1-ylphenyl)pent-4-enoate Traditional Name: (2R)-2-[[(R)-tert-butylsulfinyl]amino]-4-(4-pyrrol-1-ylphenyl)pent-4-enoic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=C)C1=CC=C(C=C1)N2C=CC=C2)NS(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)[C@@H](CC(=C)C1=CC=C(C=C1)N2C=CC=C2)N[S@](=O)C(C)(C)C

InChI

InChI=1S/C21H28N2O3S/c1-6-26-20(24)19(22-27(25)21(3,4)5)15-16(2)17-9-11-18(12-10-17)23-13-7-8-14-23/h7-14,19,22H,2,6,15H2,1,3-5H3/t19-,27-/m1/s1