ethyl 4-[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C18H26N4O4S/c1-2-26-18(25)22-9-7-21(8-10-22)11-14(23)20-17-15(16(19)24)12-5-3-4-6-13(12)27-17/h2-11H2,1H3,(H2,19,24)(H,20,23)