ethyl 3-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[ethyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[ethyl-[3-methoxy-4-(2-thenyloxy)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC2=CC=CS2)OC)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C25H26N2O7S/c1-4-26(24(28)18-12-19(25(29)33-5-2)14-20(13-18)27(30)31)15-17-8-9-22(23(11-17)32-3)34-16-21-7-6-10-35-21/h6-14H,4-5,15-16H2,1-3H3