ethyl 4-[(2S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-methyl-1-oxo-2-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]butyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-methyl-2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C24H29N5O4S/c1-4-33-24(32)29-13-11-27(12-14-29)22(31)20(16(2)3)26-21(30)17-7-8-18-19(15-17)34-23(25-18)28-9-5-6-10-28/h5-10,15-16,20H,4,11-14H2,1-3H3,(H,26,30)/t20-/m0/s1