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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CN(CC=C)CC2=CC=C(S2)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CN(CC=C)CC2=CC=C(S2)Cl)OC)[N+](=O)[O-]

InChI

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