ethyl 3-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-morpholino-2-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-morpholinyl)-2-thiophen-2-ylethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-morpholino-2-(2-thienyl)ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-2-29-20(25)15-10-14(11-16(12-15)23(26)27)19(24)21-13-17(18-4-3-9-30-18)22-5-7-28-8-6-22/h3-4,9-12,17H,2,5-8,13H2,1H3,(H,21,24)