(2R)-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-(2-methoxy-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-(2-methoxy-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(2-methoxy-4-nitro-phenyl)propanamide CAS Name: (2R)-2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-N-(2-methoxy-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-(2-methoxy-4-nitrophenyl)propanamide Traditional Name: (2R)-2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(2-methoxy-4-nitro-phenyl)propionamide Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)N(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)N(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-4-9-21(11-14-6-8-17(19)27-14)12(2)18(23)20-15-7-5-13(22(24)25)10-16(15)26-3/h4-8,10,12H,1,9,11H2,2-3H3,(H,20,23)/t12-/m1/s1