methyl 4-[[5-methyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-methyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-methyl-3-[(3-nitrophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[5-methyl-3-[[(3-nitrophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-methyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-methyl-3-[(3-nitrobenzyl)carbamoyl]-2-thienyl]carbamoyl]benzoic acid methyl ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6S/c1-13-10-18(20(27)23-12-14-4-3-5-17(11-14)25(29)30)21(32-13)24-19(26)15-6-8-16(9-7-15)22(28)31-2/h3-11H,12H2,1-2H3,(H,23,27)(H,24,26)