ethyl 4-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]benzoate Openeye Name: ethyl 4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoylamino]benzoate CAS Name: 4-[[[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylamino]benzoate Traditional Name: 4-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoylamino]benzoic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

InChI

InChI=1S/C20H23N3O4S/c1-3-27-19(25)12-5-7-13(8-6-12)22-20(26)23-18-16(17(21)24)14-9-4-11(2)10-15(14)28-18/h5-8,11H,3-4,9-10H2,1-2H3,(H2,21,24)(H2,22,23,26)