ethyl 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methyl-butanoate Openeye Name: ethyl 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methyl-butanoate CAS Name: 2-[[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methylbutanoate Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoylamino]-3-methyl-butyric acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(C(C)C)NC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S/c1-4-27-20(25)18(13(2)3)24-21(26)22-15-11-9-14(10-12-15)19-23-16-7-5-6-8-17(16)28-19/h5-13,18H,4H2,1-3H3,(H2,22,24,26)