[1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-6-carboxylate

Systemtic Name: [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-6-carboxylate Openeye Name: 1-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 1,3-benzoxazole-6-carboxylate CAS Name: 1,3-benzoxazole-6-carboxylic acid [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate Traditional Name: 1,3-benzoxazole-6-carboxylic acid 1-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=CC4=C(C=C3)N=CO4

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=CC4=C(C=C3)N=CO4

InChI

InChI=1S/C22H22N2O6S/c1-3-15(30-21(26)12-8-9-14-16(10-12)29-11-23-14)19(25)24-20-18(22(27)28-2)13-6-4-5-7-17(13)31-20/h8-11,15H,3-7H2,1-2H3,(H,24,25)