ethyl 4-aminocarbonyl-5-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-5-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-5-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate CAS Name: 4-carbamoyl-5-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-5-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylate Traditional Name: 4-carbamoyl-5-methyl-3-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiophene-2-carboxylic acid ethyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)C)C(=O)N)NC2=NCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)C)C(=O)N)NC2=NCCCCC2

InChI

InChI=1S/C15H21N3O3S/c1-3-21-15(20)13-12(11(14(16)19)9(2)22-13)18-10-7-5-4-6-8-17-10/h3-8H2,1-2H3,(H2,16,19)(H,17,18)